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

Systemtic Name: propan-2-yl 1-methyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: isopropyl 1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid isopropyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-15(2)30-23(29)19-20(16-7-4-5-8-17(16)24(3)22(19)28)25-10-12-26(13-11-25)21(27)18-9-6-14-31-18/h4-9,14-15H,10-13H2,1-3H3