methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[1-(2-nitrophenyl)-2-pyrrolyl]thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanyl-2-phenylacetate Traditional Name: 2-[[1-(2-nitrophenyl)pyrrol-2-yl]thio]-2-phenyl-acetic acid methyl ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC2=CC=CN2C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SC2=CC=CN2C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4S/c1-25-19(22)18(14-8-3-2-4-9-14)26-17-12-7-13-20(17)15-10-5-6-11-16(15)21(23)24/h2-13,18H,1H3