(2Z)-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[methyl-(phenylmethyl)azaniumyl]methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[methyl-(phenylmethyl)ammonio]methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[benzyl(methyl)azaniumyl]methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[benzyl(methyl)ammonio]methyl]-3-keto-2-(2-thenylidene)coumaran-6-olate Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)[O-]

InChI

InChI=1S/C22H19NO3S/c1-23(13-15-6-3-2-4-7-15)14-18-19(24)10-9-17-21(25)20(26-22(17)18)12-16-8-5-11-27-16/h2-12,24H,13-14H2,1H3/b20-12-