(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-ethyl-7-methyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-ethyl-7-methyl-2-oxochromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-ethyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

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