(7-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester IUPAC Name: (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (4-keto-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO6S/c1-16-13-21-23(18-9-6-10-19(18)24(28)32-21)22(14-16)33-25(29)20(11-12-34-2)27-26(30)31-15-17-7-4-3-5-8-17/h3-5,7-8,13-14,20H,6,9-12,15H2,1-2H3,(H,27,30)