[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C24H17N3O3S/c1-15-6-8-16(9-7-15)21-12-19(18-4-2-3-5-20(18)26-21)24(29)30-14-22(28)27-23-17(13-25)10-11-31-23/h2-12H,14H2,1H3,(H,27,28)