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

Systemtic Name: ethyl 2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carboxylate CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carboxylate Traditional Name: 2-keto-4-[4-(2-thenoyl)piperazino]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c1-2-28-21(27)17-18(14-6-3-4-7-15(14)22-19(17)25)23-9-11-24(12-10-23)20(26)16-8-5-13-29-16/h3-8,13H,2,9-12H2,1H3,(H,22,25)