methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C#N)S

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C#N)S

InChI

InChI=1S/C18H20N2O5S/c1-9-14(18(21)25-5)15(11(8-19)17(26)20-9)10-6-12(22-2)16(24-4)13(7-10)23-3/h6-7,14-15,26H,1-5H3/t14?,15-/m0/s1