ethyl 4-(4-methoxyphenyl)-6-methyl-2-tetradecylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-tetradecylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-tetradecylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-(tetradecylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-methyl-2-tetradecylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-(myristylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H46N2O3S MolecularWeight: 502.75214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C29H46N2O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-35-29-30-23(3)26(28(32)34-6-2)27(31-29)24-18-20-25(33-4)21-19-24/h18-21,27H,5-17,22H2,1-4H3,(H,30,31)