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

Systemtic Name: (6-methyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C3=C(C=C2)C4=C(CCC4)C(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C3=C(C=C2)C4=C(CCC4)C(=O)O3)C

InChI

InChI=1S/C23H23NO6S/c1-14-6-8-16(9-7-14)31(27,28)24-13-12-21(25)29-20-11-10-18-17-4-3-5-19(17)23(26)30-22(18)15(20)2/h6-11,24H,3-5,12-13H2,1-2H3