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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxy-3-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-hydroxy-4-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-hydroxy-4-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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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)OC)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-12-19(21(26)28-3)20(13-4-6-16(27-2)15(25)10-13)23-22(31)24(12)14-5-7-17-18(11-14)30-9-8-29-17/h4-7,10-11,20,25H,8-9H2,1-3H3,(H,23,31)