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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO6S/c1-4-5-11-20-16-24(29)33-22-14-18(2)15-23(25(20)22)34-26(30)21(12-13-35-3)28-27(31)32-17-19-9-7-6-8-10-19/h6-10,14-16,21H,4-5,11-13,17H2,1-3H3,(H,28,31)