methyl 3-azanyl-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-[(4-chlorophenyl)methylthio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3