(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO6S/c1-33-13-12-21(26-25(29)30-15-16-6-3-2-4-7-16)24(28)31-17-10-11-19-18-8-5-9-20(18)23(27)32-22(19)14-17/h2-4,6-7,10-11,14,21H,5,8-9,12-13,15H2,1H3,(H,26,29)