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

Systemtic Name: ethyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-5-25-17(23)15-10-26-16(21-15)9-22(11(2)3)18(24)20-13-7-6-12(4)14(19)8-13/h6-8,10-11H,5,9H2,1-4H3,(H,20,24)