methyl (4S)-3-cyano-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl (4S)-3-cyano-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl (4S)-3-cyano-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-cyano-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-cyano-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-methyl-4-o-phenetyl-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=NC(=C2C(=O)OC)C)SCC(=O)NC3CCCCC3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2C(C(=NC(=C2C(=O)OC)C)SCC(=O)NC3CCCCC3)C#N

InChI

InChI=1S/C25H31N3O4S/c1-4-32-20-13-9-8-12-18(20)23-19(14-26)24(27-16(2)22(23)25(30)31-3)33-15-21(29)28-17-10-6-5-7-11-17/h8-9,12-13,17,19,23H,4-7,10-11,15H2,1-3H3,(H,28,29)/t19?,23-/m1/s1