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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-3-16-19(21(25)26-2)20(14-7-5-4-6-8-14)23-22(29)24(16)15-9-10-17-18(13-15)28-12-11-27-17/h4-10,13,20H,3,11-12H2,1-2H3,(H,23,29)