methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-nitrophenyl)-2-pyrrolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-nitrophenyl)pyrrol-2-yl]thio]acetic acid methyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=CN1C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC=CN1C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-19-13(16)9-20-12-7-4-8-14(12)10-5-2-3-6-11(10)15(17)18/h2-8H,9H2,1H3