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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c1-15-12-21(25)30-20-13-17(8-9-18(15)20)29-22(26)19(10-11-31-2)24-23(27)28-14-16-6-4-3-5-7-16/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,24,27)