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

Systemtic Name: methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C(=O)OC

InChI

InChI=1S/C21H21ClN2O4S/c1-12-18(20(25)27-3)19(24-21(29)23-12)14-6-9-16(17(10-14)26-2)28-11-13-4-7-15(22)8-5-13/h4-10,19H,11H2,1-3H3,(H2,23,24,29)