acetyloxymethyl 2-[[2-[2-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-chromen-6-yl]oxyethoxy]-4-methyl-phenyl]-[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: acetyloxymethyl 2-[[2-[2-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-chromen-6-yl]oxyethoxy]-4-methyl-phenyl]-[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: acetoxymethyl 2-[2-[2-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-2-oxo-chromen-6-yl]oxyethoxy]-N-[2-(acetoxymethoxy)-2-oxo-ethyl]-4-methyl-anilino]acetate CAS Name: 2-[2-[2-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-oxo-1-benzopyran-6-yl]oxy]ethoxy]-N-[2-(acetyloxymethoxy)-2-oxoethyl]-4-methylanilino]acetic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-[2-[2-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-oxochromen-6-yl]oxyethoxy]-N-[2-(acetyloxymethoxy)-2-oxoethyl]-4-methylanilino]acetate Traditional Name: 2-[2-[2-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)-7-[bis[2-(acetoxymethoxy)-2-keto-ethyl]amino]-2-keto-chromen-6-yl]oxyethoxy]-N-[2-(acetoxymethoxy)-2-keto-ethyl]-4-methyl-anilino]acetic acid acetoxymethyl ester Formula: C42H45N5O21S MolecularWeight: 987.8926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=C3C(=C2)C=C(C(=O)O3)C4=NN=C(S4)NC(=O)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=C3C(=C2)C=C(C(=O)O3)C4=NN=C(S4)NC(=O)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

InChI

InChI=1S/C42H45N5O21S/c1-23-7-8-31(46(15-36(53)64-19-60-25(3)49)16-37(54)65-20-61-26(4)50)34(11-23)58-9-10-59-35-13-29-12-30(40-44-45-42(69-40)43-24(2)48)41(57)68-33(29)14-32(35)47(17-38(55)66-21-62-27(5)51)18-39(56)67-22-63-28(6)52/h7-8,11-14H,9-10,15-22H2,1-6H3,(H,43,45,48)