[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[[4-(4-ethoxyphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[[4-(4-ethoxyphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-keto-1-methyl-2-[(4-p-phenetylthiazol-2-yl)amino]ethyl] ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-3-27-15-6-4-13(5-7-15)16-11-29-20(23-16)24-18(25)12(2)28-19(26)14-8-9-22-17(21)10-14/h4-12H,3H2,1-2H3,(H,23,24,25)