[4,5-bis(2-azanylethanoyloxy)-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-thian-3-yl] 2-azanylethanoate trihydrochloride

Systemtic Name: [4,5-bis(2-azanylethanoyloxy)-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-thian-3-yl] 2-azanylethanoate trihydrochloride Openeye Name: [4,5-bis[(2-aminoacetyl)oxy]-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydrothiopyran-3-yl] 2-aminoacetate trihydrochloride CAS Name: 2-aminoacetic acid [4,5-bis(2-amino-1-oxoethoxy)-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3-thianyl] ester trihydrochloride IUPAC Name: [4,5-bis[(2-aminoacetyl)oxy]-6-(4-methyl-2-oxochromen-7-yl)oxythian-3-yl] 2-aminoacetate trihydrochloride Traditional Name: 2-aminoacetic acid [4,5-diglycyloxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydrothiopyran-3-yl] ester trihydrochloride Formula: C21H28Cl3N3O9S MolecularWeight: 604.88572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)OC(=O)CN)OC(=O)CN)OC(=O)CN.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)OC(=O)CN)OC(=O)CN)OC(=O)CN.Cl.Cl.Cl

InChI

InChI=1S/C21H25N3O9S.3ClH/c1-10-4-15(25)30-13-5-11(2-3-12(10)13)29-21-20(33-18(28)8-24)19(32-17(27)7-23)14(9-34-21)31-16(26)6-22;;;/h2-5,14,19-21H,6-9,22-24H2,1H3;3*1H