2-methoxyethyl 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-methyl-4-(4-octoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-methyl-4-(4-octoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-octoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCOC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCOC

InChI

InChI=1S/C23H34N2O4S/c1-4-5-6-7-8-9-14-28-19-12-10-18(11-13-19)21-20(17(2)24-23(30)25-21)22(26)29-16-15-27-3/h10-13,21H,4-9,14-16H2,1-3H3,(H2,24,25,30)