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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(propargylamino)ethyl]thio]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC#C

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC#C

InChI

InChI=1S/C17H16N2O4S/c1-3-9-18-15(20)11-23-17(22)13-7-5-6-8-14(13)24-12-16(21)19-10-4-2/h1-2,5-8H,9-12H2,(H,18,20)(H,19,21)