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

Systemtic Name: methyl 2-[1-(2-aminophenyl)pyrrol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-aminophenyl)pyrrol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-aminophenyl)-2-pyrrolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-aminophenyl)pyrrol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-aminophenyl)pyrrol-2-yl]thio]acetic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=CN1C2=CC=CC=C2N

Isomeric SMILES

COC(=O)CSC1=CC=CN1C2=CC=CC=C2N

InChI

InChI=1S/C13H14N2O2S/c1-17-13(16)9-18-12-7-4-8-15(12)11-6-3-2-5-10(11)14/h2-8H,9,14H2,1H3