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

Systemtic Name: methyl 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]acetic acid methyl ester Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)C1=CC=CN1

Isomeric SMILES

COC(=O)CSCC(=O)C1=CC=CN1

InChI

InChI=1S/C9H11NO3S/c1-13-9(12)6-14-5-8(11)7-3-2-4-10-7/h2-4,10H,5-6H2,1H3