4-[(E)-3-[3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]phenolate

Systemtic Name: 4-[(E)-3-[3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]phenolate Openeye Name: 4-[(E)-3-[3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]phenolate CAS Name: 4-[(E)-3-[3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-methoxyphenyl]-1-oxoprop-2-enyl]phenolate IUPAC Name: 4-[(E)-3-[3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoyl]phenolate Traditional Name: 4-[(E)-3-[3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-methoxy-phenyl]acryloyl]phenolate Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[O-])CSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[O-])CSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C24H20N2O3S/c1-29-23-13-7-16(6-12-22(28)17-8-10-19(27)11-9-17)14-18(23)15-30-24-25-20-4-2-3-5-21(20)26-24/h2-14,27H,15H2,1H3,(H,25,26)/b12-6+