S-(4,5-dihydro-1H-imidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate

Systemtic Name: S-(4,5-dihydro-1H-imidazol-2-yl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate Openeye Name: S-(4,5-dihydro-1H-imidazol-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-(4,5-dihydro-1H-imidazol-2-yl) ester IUPAC Name: S-(4,5-dihydro-1H-imidazol-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-(2-imidazolin-2-yl) ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)SC2=NCCN2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)SC2=NCCN2)OC

InChI

InChI=1S/C15H15N3O3S/c1-20-12-4-3-10(8-13(12)21-2)7-11(9-16)14(19)22-15-17-5-6-18-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/b11-7+