ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-[(1S)-cyclohex-3-en-1-yl]-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-[(1S)-cyclohex-3-en-1-yl]-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-[(1S)-cyclohex-3-en-1-yl]-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-[(1S)-1-cyclohex-3-enyl]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-[(1S)-cyclohex-3-en-1-yl]-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-[(1S)-cyclohex-3-en-1-yl]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCC=CC2)C#N)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1[C@H]2CCC=CC2)C#N)SCC(=O)N)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-18(23)15-11(2)21-17(25-10-14(20)22)13(9-19)16(15)12-7-5-4-6-8-12/h4-5,12,16,21H,3,6-8,10H2,1-2H3,(H2,20,22)/t12-,16-/m1/s1