(4-oxidanylidene-3-phenoxy-chromen-7-yl) 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenylacetyl)amino]butyric acid (4-keto-3-phenoxy-chromen-7-yl) ester Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6S/c1-36-15-14-23(29-26(30)16-19-8-4-2-5-9-19)28(32)35-21-12-13-22-24(17-21)33-18-25(27(22)31)34-20-10-6-3-7-11-20/h2-13,17-18,23H,14-16H2,1H3,(H,29,30)