ethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-3-propoxy-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-3-propoxy-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C35H58N2O4S MolecularWeight: 602.91102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=S)N2OCCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=S)N2OCCC)C)C(=O)OCC

InChI

InChI=1S/C35H58N2O4S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-23-29-24-22-25-30(41-27(4)5)32(29)33-31(34(38)39-9-3)28(6)36-35(42)37(33)40-26-8-2/h22,24-25,27,33H,7-21,23,26H2,1-6H3,(H,36,42)