methyl 3-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrrol-1-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[(4-methylphenyl)amino]-2,5-bis(oxidanylidene)-4-pyridin-1-ium-1-yl-pyrrol-1-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(4-methylanilino)-2,5-dioxo-4-pyridin-1-ium-1-yl-pyrrol-1-yl]thiophene-2-carboxylate CAS Name: 3-[3-(4-methylanilino)-2,5-dioxo-4-(1-pyridin-1-iumyl)-1-pyrrolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylanilino)-2,5-dioxo-4-pyridin-1-ium-1-ylpyrrol-1-yl]thiophene-2-carboxylate Traditional Name: 3-[2,5-diketo-3-(p-toluidino)-4-pyridin-1-ium-1-yl-3-pyrrolin-1-yl]thiophene-2-carboxylic acid methyl ester Formula: C22H18N3O4S+ MolecularWeight: 420.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=C(SC=C3)C(=O)OC)[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=C(SC=C3)C(=O)OC)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-14-6-8-15(9-7-14)23-17-18(24-11-4-3-5-12-24)21(27)25(20(17)26)16-10-13-30-19(16)22(28)29-2/h3-13H,1-2H3/p+1