4-[2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(3-methyl-2-thiophenyl)-1,4-dihydropyridin-2-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydropyridin-2-yl]thio]acetyl]amino]benzoate Formula: C23H20N3O4S2- MolecularWeight: 466.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

CC1=C(SC=C1)[C@H]2C(=C(NC(=C2C(=O)C)C)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C#N

InChI

InChI=1S/C23H21N3O4S2/c1-12-8-9-31-21(12)20-17(10-24)22(25-13(2)19(20)14(3)27)32-11-18(28)26-16-6-4-15(5-7-16)23(29)30/h4-9,20,25H,11H2,1-3H3,(H,26,28)(H,29,30)/p-1/t20-/m0/s1