prop-2-enyl (4R)-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-cyano-4-(4-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-cyano-4-(4-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4R)-2-(2-amino-2-oxo-ethyl)sulfanyl-3-cyano-4-(4-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-2-[(2-amino-2-oxoethyl)thio]-3-cyano-4-(4-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-2-(2-amino-2-oxoethyl)sulfanyl-3-cyano-4-(4-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-2-[(2-amino-2-keto-ethyl)thio]-3-cyano-6-methyl-4-p-phenetyl-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(C(=NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N

InChI

InChI=1S/C21H23N3O4S/c1-4-10-28-21(26)18-13(3)24-20(29-12-17(23)25)16(11-22)19(18)14-6-8-15(9-7-14)27-5-2/h4,6-9,16,19H,1,5,10,12H2,2-3H3,(H2,23,25)/t16?,19-/m0/s1