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

Systemtic Name: methyl 4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-cyclohexylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 4-(cyclohexylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 4-(cyclohexylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=C(C=C2SC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=C(C=C2SC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO4S2/c1-21-16(18)15-9-12-13(22-11-5-3-2-4-6-11)7-10(17(19)20)8-14(12)23-15/h7-9,11H,2-6H2,1H3