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

Systemtic Name: [1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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