propan-2-yl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-11(2)31-22(27)18-12(3)25-21(32-10-17(24)26)14(9-23)19(18)13-7-15(28-4)20(30-6)16(8-13)29-5/h7-8,11,18-19H,10H2,1-6H3,(H2,24,26)/t18?,19-/m0/s1