ethyl 2-oxidanylidene-1-(pyridin-4-ylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-1-(pyridin-4-ylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 2-oxo-1-(4-pyridylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(pyridin-4-ylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-(pyridin-4-ylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-(4-pyridylmethyl)-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=NC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=NC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H26N4O4S/c1-2-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-5-17-36-22)20-6-3-4-7-21(20)31(26(23)33)18-19-9-11-28-12-10-19/h3-12,17H,2,13-16,18H2,1H3