[(4R)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]-prop-2-enoxy-methanolate

Systemtic Name: [(4R)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]-prop-2-enoxy-methanolate Openeye Name: allyloxy-[(4R)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]methanolate CAS Name: [(4R)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate IUPAC Name: [(4R)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]-prop-2-enoxymethanolate Traditional Name: allyloxy-[(4R)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridin-3-ylidene]methanolate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C([O-])OCC=C)C2=CC(=C(C(=C2)OC)OC)OC)C#N)S

Isomeric SMILES

CC1=NC(=C([C@@H](C1=C([O-])OCC=C)C2=CC(=C(C(=C2)OC)OC)OC)C#N)S

InChI

InChI=1S/C20H22N2O5S/c1-6-7-27-20(23)16-11(2)22-19(28)13(10-21)17(16)12-8-14(24-3)18(26-5)15(9-12)25-4/h6,8-9,17,23,28H,1,7H2,2-5H3/p-1/t17-/m0/s1