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

Systemtic Name: ethyl 2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1-(thiophen-3-ylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 2-oxo-1-(3-thienylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(3-thiophenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-(thiophen-3-ylmethyl)quinoline-3-carboxylate Traditional Name: 2-keto-4-[4-(2-thenoyl)piperazino]-1-(3-thenyl)quinoline-3-carboxylic acid ethyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CSC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CSC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H25N3O4S2/c1-2-33-26(32)22-23(27-10-12-28(13-11-27)24(30)21-8-5-14-35-21)19-6-3-4-7-20(19)29(25(22)31)16-18-9-15-34-17-18/h3-9,14-15,17H,2,10-13,16H2,1H3