3-cyanopropyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid 3-cyanopropyl ester Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C18H13ClN2O2S/c19-17-8-7-16(24-17)15-11-13(18(22)23-10-4-3-9-20)12-5-1-2-6-14(12)21-15/h1-2,5-8,11H,3-4,10H2