(2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-oxo-4-phenyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-phenylchromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (2-keto-4-phenyl-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(=CC(=O)O2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

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