ethyl 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O3S/c1-3-24-19(23)18-13(2)17(21-20(26)22-18)14-8-7-11-16(12-14)25-15-9-5-4-6-10-15/h4-12,17H,3H2,1-2H3,(H2,21,22,26)