[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC#C

InChI

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