[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C15H17NO3S/c1-4-7-16-14(17)9-19-15(18)10-20-13-6-5-11(2)8-12(13)3/h1,5-6,8H,7,9-10H2,2-3H3,(H,16,17)