[2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[[3-carbethoxy-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC=CC=N2)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC=CC=N2)C

InChI

InChI=1S/C21H26N2O5S/c1-5-13(3)11-15-14(4)29-19(18(15)21(26)27-6-2)23-17(24)12-28-20(25)16-9-7-8-10-22-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,24)/t13-/m0/s1