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

Systemtic Name: methyl 2-[2-[[4-(4-chlorophenyl)-3-cyano-5-ethanoyl-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C25H22ClN3O4S/c1-14-22(15(2)30)23(16-8-10-17(26)11-9-16)19(12-27)24(28-14)34-13-21(31)29-20-7-5-4-6-18(20)25(32)33-3/h4-11,23,28H,13H2,1-3H3,(H,29,31)