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

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-methyl-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-benzyl-2-keto-6-methyl-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4S/c1-3-36-29(35)25-26(30-13-15-31(16-14-30)27(33)24-10-7-17-37-24)22-18-20(2)11-12-23(22)32(28(25)34)19-21-8-5-4-6-9-21/h4-12,17-18H,3,13-16,19H2,1-2H3