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

Systemtic Name: (2Z)-7-[(dipropylazaniumyl)methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dipropylammonio)methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dipropylammonio)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dipropylazaniumyl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dipropylammonio)methyl]-3-keto-2-(2-thenylidene)coumaran-6-olate Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-3-9-21(10-4-2)13-16-17(22)8-7-15-19(23)18(24-20(15)16)12-14-6-5-11-25-14/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3/b18-12-