[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H12ClN3O3S2 MolecularWeight: 453.92128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H12ClN3O3S2/c22-18-6-5-17(30-18)16-9-14(13-3-1-2-4-15(13)24-16)21(27)28-11-19(26)25-20-12(10-23)7-8-29-20/h1-9H,11H2,(H,25,26)