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

Systemtic Name: methyl 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-(4-methylanilino)-2-oxo-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(4-methylanilino)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-methylanilino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-keto-2-(p-toluidino)acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CN2C3=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)C2=CC=CN2C3=C(SC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H18N2O4S/c1-14-9-11-15(12-10-14)24-22(27)20(26)17-7-5-13-25(17)19-16-6-3-4-8-18(16)30-21(19)23(28)29-2/h3-13H,1-2H3,(H,24,27)