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

Systemtic Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[[4-(4-ethoxyphenyl)thiazol-2-yl]carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-[[4-(4-ethoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(4-p-phenetylthiazol-2-yl)carbamoyl]propyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OCC)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OCC)OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-3-17(29-20(27)15-6-5-11-23-18(15)22)19(26)25-21-24-16(12-30-21)13-7-9-14(10-8-13)28-4-2/h5-12,17H,3-4H2,1-2H3,(H,24,25,26)