[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid [2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl] ester Formula: C30H29NO7S MolecularWeight: 547.61876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H29NO7S/c1-19-26(14-13-23-24(17-27(32)38-28(19)23)21-9-11-22(35-2)12-10-21)37-29(33)25(15-16-39-3)31-30(34)36-18-20-7-5-4-6-8-20/h4-14,17,25H,15-16,18H2,1-3H3,(H,31,34)