N-(1,3-benzothiazol-2-yl)-2-[[(4S)-5-cyano-3-ethanoyl-2-methyl-4-pyridin-3-yl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[(4S)-5-cyano-3-ethanoyl-2-methyl-4-pyridin-3-yl-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4S)-3-acetyl-5-cyano-2-methyl-4-(3-pyridyl)-3,4-dihydropyridin-6-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[(4S)-3-acetyl-5-cyano-2-methyl-4-(3-pyridinyl)-3,4-dihydropyridin-6-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[(4S)-3-acetyl-5-cyano-2-methyl-4-pyridin-3-yl-3,4-dihydropyridin-6-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[(4S)-3-acetyl-5-cyano-2-methyl-4-(3-pyridyl)-3,4-dihydropyridin-6-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CN=CC=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19N5O2S2/c1-13-20(14(2)29)21(15-6-5-9-25-11-15)16(10-24)22(26-13)31-12-19(30)28-23-27-17-7-3-4-8-18(17)32-23/h3-9,11,20-21H,12H2,1-2H3,(H,27,28,30)/t20?,21-/m0/s1