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

Systemtic Name: methyl 4-[2-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[2-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19BrCl2N2O4S MolecularWeight: 546.26156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19BrCl2N2O4S/c1-10-18(20(27)29-3)19(26-21(31)25-10)13-7-16(28-2)17(8-14(13)22)30-9-11-4-5-12(23)6-15(11)24/h4-8,18-19H,1,9H2,2-3H3,(H2,25,26,31)