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

Systemtic Name: methyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C(C)C)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-10(2)21(8-15-20-14(9-25-15)16(22)24-4)17(23)19-12-6-5-11(3)13(18)7-12/h5-7,9-10H,8H2,1-4H3,(H,19,23)