[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C14H15NO3S/c1-3-8-15-13(16)9-18-14(17)10-19-12-7-5-4-6-11(12)2/h1,4-7H,8-10H2,2H3,(H,15,16)