[1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[[4-(4-chlorophenyl)thiazol-2-yl]carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[[4-(4-chlorophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[[4-(4-chlorophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C22H17ClN4O3S MolecularWeight: 452.91338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Cl)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H17ClN4O3S/c1-2-18(30-21(29)15-4-3-5-16-19(15)25-11-10-24-16)20(28)27-22-26-17(12-31-22)13-6-8-14(23)9-7-13/h3-12,18H,2H2,1H3,(H,26,27,28)