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

Systemtic Name: 4-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate Openeye Name: 4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate CAS Name: 4-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]benzoate IUPAC Name: 4-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate Traditional Name: 4-[[2-keto-2-(propargylamino)ethyl]thio]benzoate Formula: C12H10NO3S- MolecularWeight: 248.2777

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C#CCNC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H11NO3S/c1-2-7-13-11(14)8-17-10-5-3-9(4-6-10)12(15)16/h1,3-6H,7-8H2,(H,13,14)(H,15,16)/p-1