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

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N2O4S/c1-3-25-20(24)18-13(2)23(15-7-5-4-6-8-15)21(28)22-19(18)14-9-10-16-17(11-14)27-12-26-16/h4-11,19H,3,12H2,1-2H3,(H,22,28)