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

Systemtic Name: ethyl 1-(2-methylpropyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-isobutyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-(2-methylpropyl)-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-isobutyl-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(C)C)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(C)C)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H29N3O4S/c1-4-32-25(31)21-22(18-8-5-6-9-19(18)28(24(21)30)16-17(2)3)26-11-13-27(14-12-26)23(29)20-10-7-15-33-20/h5-10,15,17H,4,11-14,16H2,1-3H3