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

Systemtic Name: [4-(4-methoxyphenyl)-2-oxidanylidene-chromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-(4-methoxyphenyl)-2-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [4-(4-methoxyphenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-methoxyphenyl)-2-oxochromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid [2-keto-4-(4-methoxyphenyl)chromen-7-yl] ester Formula: C29H27NO7S MolecularWeight: 533.59218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO7S/c1-34-21-10-8-20(9-11-21)24-17-27(31)37-26-16-22(12-13-23(24)26)36-28(32)25(14-15-38-2)30-29(33)35-18-19-6-4-3-5-7-19/h3-13,16-17,25H,14-15,18H2,1-2H3,(H,30,33)