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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)NCC#C)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NCC#C)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3S/c1-3-9-17-13(19)10-21-16(20)15-14(18-11(2)22-15)12-7-5-4-6-8-12/h1,4-8H,9-10H2,2H3,(H,17,19)