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

Systemtic Name: ethyl 2-oxidanylidene-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-2-oxo-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-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-benzyl-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-2-35-28(34)24-25(29-14-16-30(17-15-29)26(32)23-13-8-18-36-23)21-11-6-7-12-22(21)31(27(24)33)19-20-9-4-3-5-10-20/h3-13,18H,2,14-17,19H2,1H3