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

Systemtic Name: methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-4-[(4-chlorophenyl)methylthio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN2O5S2 MolecularWeight: 450.9158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H15ClN2O5S2/c1-10(23)21-17-16-14(28-9-11-3-5-12(20)6-4-11)7-13(22(25)26)8-15(16)29-18(17)19(24)27-2/h3-8H,9H2,1-2H3,(H,21,23)