ethyl 2-[(2-cyanophenyl)methylsulfanyl]-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-cyanophenyl)methylsulfanyl]-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-cyanophenyl)methylsulfanyl]-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(2-cyanophenyl)methylthio]-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyanophenyl)methylsulfanyl]-4-(2-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(2-cyanobenzyl)thio]-6-methyl-4-o-phenetyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCC3=CC=CC=C3C#N)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCC3=CC=CC=C3C#N)C)C(=O)OCC

InChI

InChI=1S/C24H25N3O3S/c1-4-29-20-13-9-8-12-19(20)22-21(23(28)30-5-2)16(3)26-24(27-22)31-15-18-11-7-6-10-17(18)14-25/h6-13,22H,4-5,15H2,1-3H3,(H,26,27)