[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)C(=O)OCC

InChI

InChI=1S/C21H25N3O5S/c1-3-14-12-16(21(27)28-4-2)19(30-14)23-17(25)13-29-20(26)15-8-7-9-22-18(15)24-10-5-6-11-24/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,23,25)