methyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-tert-butoxy-2-keto-ethyl)thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-13-17(20(25)26-5)18(14-9-7-6-8-10-14)15(11-22)19(23-13)28-12-16(24)27-21(2,3)4/h6-10,18,23H,12H2,1-5H3