[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H12BrNO3S/c1-2-7-15-12(16)8-18-13(17)9-19-11-5-3-10(14)4-6-11/h1,3-6H,7-9H2,(H,15,16)