(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,4,8-trimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4,8-trimethyl-2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-3,4,8-trimethyl-chromen-7-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO6S/c1-15-16(2)23(27)32-22-17(3)21(11-10-19(15)22)31-24(28)20(12-13-33-4)26-25(29)30-14-18-8-6-5-7-9-18/h5-11,20H,12-14H2,1-4H3,(H,26,29)