[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H13NO3S/c1-3-8-14-12(15)9-17-13(16)10-4-6-11(18-2)7-5-10/h1,4-7H,8-9H2,2H3,(H,14,15)