3-cyanopropyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: 3-cyanopropyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid 3-cyanopropyl ester Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC#N

InChI

InChI=1S/C18H14N2O2S/c19-9-3-4-10-22-18(21)14-12-16(17-8-5-11-23-17)20-15-7-2-1-6-13(14)15/h1-2,5-8,11-12H,3-4,10H2