[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-2-7-14-12(16)8-20-13(17)9-21-11-6-4-3-5-10(11)15(18)19/h1,3-6H,7-9H2,(H,14,16)