ethyl 6-chloranyl-1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-chloro-1-[3-(dimethylamino)propyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 6-chloro-1-[3-(dimethylamino)propyl]-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C26H31ClN4O4S MolecularWeight: 531.06674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O4S/c1-4-35-26(34)22-23(29-12-14-30(15-13-29)24(32)21-7-5-16-36-21)19-17-18(27)8-9-20(19)31(25(22)33)11-6-10-28(2)3/h5,7-9,16-17H,4,6,10-15H2,1-3H3