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

Systemtic Name: methyl 6-(3-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-cyanophenyl)-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-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-13-19(21(26)27-2)20(15-5-3-4-14(10-15)12-23)24-22(30)25(13)16-6-7-17-18(11-16)29-9-8-28-17/h3-7,10-11,20H,8-9H2,1-2H3,(H,24,30)