[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H22N2O5S/c1-5-28-22(27)19-13(3)14(4)30-20(19)24-18(25)11-29-21(26)16-10-12(2)23-17-9-7-6-8-15(16)17/h6-10H,5,11H2,1-4H3,(H,24,25)