[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(3-carbethoxy-5-isopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O5S/c1-4-28-21(26)15-11-18(13(2)3)30-20(15)24-19(25)12-29-22(27)17-10-9-14-7-5-6-8-16(14)23-17/h5-11,13H,4,12H2,1-3H3,(H,24,25)