[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C14H13NO3S/c16-13(12-7-4-8-15-12)9-18-14(17)10-19-11-5-2-1-3-6-11/h1-8,15H,9-10H2