methyl 3-acetamido-4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-acetamido-4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetamido-4-cyclohexylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-4-(cyclohexylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-(cyclohexylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3CCCCC3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3CCCCC3)C(=O)OC

InChI

InChI=1S/C18H20N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h8-9,12H,3-7H2,1-2H3,(H,19,21)