ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate CAS Name: 3-acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid ethyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C19H16N2O5S2/c1-3-26-19(23)18-17(20-11(2)22)16-14(27-13-7-5-4-6-8-13)9-12(21(24)25)10-15(16)28-18/h4-10H,3H2,1-2H3,(H,20,22)