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

Systemtic Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-2-(2-thenylidene)coumaran-6-olate Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)[O-]

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CS3)/C2=O)[O-]

InChI

InChI=1S/C20H23NO5S/c1-24-9-7-21(8-10-25-2)13-16-17(22)6-5-15-19(23)18(26-20(15)16)12-14-4-3-11-27-14/h3-6,11-12,22H,7-10,13H2,1-2H3/b18-12-