N-(6-bromanyl-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-(6-bromanyl-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-(6-bromo-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-(6-bromo-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-(6-bromo-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-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C23H18BrN5O2S2 MolecularWeight: 540.45532

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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=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C23H18BrN5O2S2/c1-12-20(13(2)30)21(14-4-3-7-26-10-14)16(9-25)22(27-12)32-11-19(31)29-23-28-17-6-5-15(24)8-18(17)33-23/h3-8,10,20-21H,11H2,1-2H3,(H,28,29,31)/t20?,21-/m0/s1