(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-[(3-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-[(3-methylphenyl)sulfonylamino]propanoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-(m-tolylsulfonylamino)propanoate CAS Name: 3-[(3-methylphenyl)sulfonylamino]propanoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-[(3-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(m-tolylsulfonylamino)propionic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C23H23NO6S/c1-15-4-2-7-19(10-15)31(27,28)24-9-8-22(25)29-14-18-13-23(26)30-21-12-17-6-3-5-16(17)11-20(18)21/h2,4,7,10-13,24H,3,5-6,8-9,14H2,1H3