methyl 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c1-4-29-18-9-13(20-19(21(27)28-3)12(2)25-22(31)26-20)6-8-17(18)30-11-14-5-7-15(23)10-16(14)24/h5-10,20H,4,11H2,1-3H3,(H2,25,26,31)