ethyl 1-methyl-2-oxidanylidene-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-[4-[2-(2-thienyl)acetyl]piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C23H25N3O4S/c1-3-30-23(29)20-21(17-8-4-5-9-18(17)24(2)22(20)28)26-12-10-25(11-13-26)19(27)15-16-7-6-14-31-16/h4-9,14H,3,10-13,15H2,1-2H3