methyl 3-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-(4-chloroanilino)-2-oxo-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(4-chloroanilino)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-chloroanilino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-(4-chloroanilino)-2-keto-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C22H15ClN2O4S MolecularWeight: 438.8835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN2O4S/c1-29-22(28)20-18(15-5-2-3-7-17(15)30-20)25-12-4-6-16(25)19(26)21(27)24-14-10-8-13(23)9-11-14/h2-12H,1H3,(H,24,27)