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

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)SCC(=O)N)C#N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O5S/c1-4-28-20(26)16-11(2)23-18(29-10-15(22)24)14(9-21)17(16)12-5-7-13(8-6-12)19(25)27-3/h5-8,16-17H,4,10H2,1-3H3,(H2,22,24)/t16?,17-/m0/s1