methyl 2-[[(4S)-2-azanyl-3,5-dicyano-4-(2-methylphenyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[(4S)-2-azanyl-3,5-dicyano-4-(2-methylphenyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(4S)-2-amino-3,5-dicyano-4-(o-tolyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-2-amino-3,5-dicyano-4-(2-methylphenyl)-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(4S)-2-amino-3,5-dicyano-4-(2-methylphenyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-2-amino-3,5-dicyano-4-(o-tolyl)-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=NC(=C2C#N)SCC(=O)OC)N)C#N

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C(C(=NC(=C2C#N)SCC(=O)OC)N)C#N

InChI

InChI=1S/C17H16N4O2S/c1-10-5-3-4-6-11(10)15-12(7-18)16(20)21-17(13(15)8-19)24-9-14(22)23-2/h3-6,12,15H,9H2,1-2H3,(H2,20,21)/t12?,15-/m1/s1