ethyl 6-chloranyl-1-methyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-methyl-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-chloro-1-methyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 6-chloro-2-keto-1-methyl-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-3-30-22(29)18-19(15-13-14(23)6-7-16(15)24(2)21(18)28)25-8-10-26(11-9-25)20(27)17-5-4-12-31-17/h4-7,12-13H,3,8-11H2,1-2H3