methyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetamido-4-benzylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-6-nitro-4-(phenylmethylthio)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-benzylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H16N2O5S2/c1-11(22)20-17-16-14(27-10-12-6-4-3-5-7-12)8-13(21(24)25)9-15(16)28-18(17)19(23)26-2/h3-9H,10H2,1-2H3,(H,20,22)