ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H23ClN2O4S/c1-4-28-21(26)19-13(2)24-22(30)25-20(19)15-7-10-17(18(11-15)27-3)29-12-14-5-8-16(23)9-6-14/h5-11,19-20H,2,4,12H2,1,3H3,(H2,24,25,30)