methyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC

InChI

InChI=1S/C22H21ClN2O6S/c1-11-18(21(27)29-3)19(12-8-14(23)20(26)17(9-12)28-2)24-22(32)25(11)13-4-5-15-16(10-13)31-7-6-30-15/h4-5,8-10,19,26H,6-7H2,1-3H3,(H,24,32)