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

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-(4-thiophen-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(3-thiophenyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-[4-(3-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-3-29-22(28)18-19(16-6-4-5-7-17(16)23(2)21(18)27)24-9-11-25(12-10-24)20(26)15-8-13-30-14-15/h4-8,13-14H,3,9-12H2,1-2H3