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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO6S/c1-15-16(2)22(26)31-21-13-18(9-10-19(15)21)30-23(27)20(11-12-32-3)25-24(28)29-14-17-7-5-4-6-8-17/h4-10,13,20H,11-12,14H2,1-3H3,(H,25,28)