ethyl 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-2-24-19(23)16-17(12-6-4-3-5-7-12)21-20(27)22-18(16)13-8-9-14-15(10-13)26-11-25-14/h3-10,18H,2,11H2,1H3,(H2,21,22,27)