methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-benzothiophene-2-carboxylate CAS Name: 6-nitro-4-(phenylthio)-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Traditional Name: 6-nitro-4-(phenylthio)-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid methyl ester Formula: C20H14N2O4S2 MolecularWeight: 410.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])N4C=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])N4C=CC=C4

InChI

InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3