(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-butyl-8-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-8-methyl-2-oxochromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-butyl-2-keto-8-methyl-chromen-7-yl) ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3

InChI

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