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

Systemtic Name: ethyl 2-[[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chlorophenyl)carbamoyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-2-24-16(22)14-10-25-15(20-14)9-21(13-6-7-13)17(23)19-12-5-3-4-11(18)8-12/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,19,23)