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

Systemtic Name: methyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

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