[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H17N3O3S/c1-14-9-20(24-18-8-3-2-7-17(14)18)28-13-21(26)27-12-19(25)23-16-6-4-5-15(10-16)11-22/h2-10H,12-13H2,1H3,(H,23,25)