(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-methyl-2-oxo-4-phenyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-phenylchromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-8-methyl-4-phenyl-chromen-7-yl) ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO6S/c1-19-25(14-13-22-23(17-26(31)36-27(19)22)21-11-7-4-8-12-21)35-28(32)24(15-16-37-2)30-29(33)34-18-20-9-5-3-6-10-20/h3-14,17,24H,15-16,18H2,1-2H3,(H,30,33)