1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 1-[2-(dimethylammonio)ethyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 1-[2-(dimethylammonio)ethyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 1-[2-(dimethylammonio)ethyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=CS4

InChI

InChI=1S/C22H22N2O5S/c1-23(2)9-10-24-18(16-8-5-11-30-16)17(20(26)22(24)27)19(25)15-12-13-6-4-7-14(28-3)21(13)29-15/h4-8,11-12,18,26H,9-10H2,1-3H3