(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C24H24ClNO6S/c1-14-15(2)22(27)31-20-12-21(18(25)11-17(14)20)32-23(28)19(9-10-33-3)26-24(29)30-13-16-7-5-4-6-8-16/h4-8,11-12,19H,9-10,13H2,1-3H3,(H,26,29)