methyl 3-acetamido-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-acetamido-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetamido-4-(4-chlorophenyl)sulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-4-[(4-chlorophenyl)thio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-[(4-chlorophenyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H13ClN2O5S2 MolecularWeight: 436.88922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H13ClN2O5S2/c1-9(22)20-16-15-13(27-12-5-3-10(19)4-6-12)7-11(21(24)25)8-14(15)28-17(16)18(23)26-2/h3-8H,1-2H3,(H,20,22)