[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C16H13ClN2O3S/c1-3-7-18-13(20)9-22-16(21)14-10(2)19-15(23-14)11-5-4-6-12(17)8-11/h1,4-6,8H,7,9H2,2H3,(H,18,20)