[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H16N2O3S2/c1-3-8-18-15(20)9-22-16(21)14-7-5-4-6-13(14)11-24-17-19-12(2)10-23-17/h1,4-7,10H,8-9,11H2,2H3,(H,18,20)