4-[(dimethylazaniumyl)methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate Openeye Name: 4-[(dimethylammonio)methyl]-3-(2-methoxy-2-oxo-ethyl)-2-(phenylsulfanylmethyl)benzofuran-5-olate CAS Name: 4-[(dimethylammonio)methyl]-3-(2-methoxy-2-oxoethyl)-2-[(phenylthio)methyl]-5-benzofuranolate IUPAC Name: 4-[(dimethylazaniumyl)methyl]-3-(2-methoxy-2-oxoethyl)-2-(phenylsulfanylmethyl)-1-benzofuran-5-olate Traditional Name: 4-[(dimethylammonio)methyl]-3-(2-keto-2-methoxy-ethyl)-2-[(phenylthio)methyl]benzofuran-5-olate Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=C(O2)CSC3=CC=CC=C3)CC(=O)OC)[O-]

InChI

InChI=1S/C21H23NO4S/c1-22(2)12-16-17(23)9-10-18-21(16)15(11-20(24)25-3)19(26-18)13-27-14-7-5-4-6-8-14/h4-10,23H,11-13H2,1-3H3