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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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