S-(1H-benzimidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate Openeye Name: S-(1H-benzimidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)SC2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)SC2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C19H15N3O3S/c1-24-16-8-7-12(10-17(16)25-2)9-13(11-20)18(23)26-19-21-14-5-3-4-6-15(14)22-19/h3-10H,1-2H3,(H,21,22)/b13-9+