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

Systemtic Name: [1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[[4-(4-methylphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-3-16(27-19(26)14-8-9-22-17(21)10-14)18(25)24-20-23-15(11-28-20)13-6-4-12(2)5-7-13/h4-11,16H,3H2,1-2H3,(H,23,24,25)