(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(3-methyl-2-thienyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C19H19NO3S/c1-12-6-9-24-17(12)10-16-18(22)13-4-5-15(21)14(19(13)23-16)11-20-7-2-3-8-20/h4-6,9-10,21H,2-3,7-8,11H2,1H3/b16-10-