ethyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-3-25-17(23)15-10-26-16(21-15)9-22(13-6-7-13)18(24)20-12-5-4-11(2)14(19)8-12/h4-5,8,10,13H,3,6-7,9H2,1-2H3,(H,20,24)