(2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dimethylammonio)methyl]-3-keto-4-methyl-2-(2-thenylidene)coumaran-6-olate Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CS3)O2)C[NH+](C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CS3)/O2)C[NH+](C)C)[O-]

InChI

InChI=1S/C17H17NO3S/c1-10-7-13(19)12(9-18(2)3)17-15(10)16(20)14(21-17)8-11-5-4-6-22-11/h4-8,19H,9H2,1-3H3/b14-8-