2-methoxyethyl 6-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methoxyethyl 6-[4-(4-tert-butylphenyl)-4-oxidanylidene-butyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-methoxyethyl 6-[4-(4-tert-butylphenyl)-4-oxo-butyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[4-(4-tert-butylphenyl)-4-oxobutyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[4-(4-tert-butylphenyl)-4-keto-butyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester Formula: C31H35ClN2O4S MolecularWeight: 567.1386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCCOC

InChI

InChI=1S/C31H35ClN2O4S/c1-20-27(30(36)38-17-16-37-5)28(23-9-6-7-10-25(23)32)24(19-33)29(34-20)39-18-8-11-26(35)21-12-14-22(15-13-21)31(2,3)4/h6-7,9-10,12-15,28,34H,8,11,16-18H2,1-5H3