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

Systemtic Name: methyl 3-azanyl-4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-cyclohexylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(cyclohexylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-cyclohexylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(cyclohexylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3CCCCC3)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3CCCCC3)[N+](=O)[O-])N

InChI

InChI=1S/C16H18N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h7-8,10H,2-6,17H2,1H3