[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S/c26-20(25-22(28)23-14-6-1-2-7-14)13-29-21(27)16-12-18(19-10-5-11-30-19)24-17-9-4-3-8-15(16)17/h3-5,8-12,14H,1-2,6-7,13H2,(H2,23,25,26,28)