(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic 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) (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)valeric acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27NO6S/c1-4-16(3)23(26-33(29,30)18-11-8-15(2)9-12-18)25(28)31-17-10-13-20-19-6-5-7-21(19)24(27)32-22(20)14-17/h8-14,16,23,26H,4-7H2,1-3H3/t16?,23-/m0/s1