methyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)O

InChI

InChI=1S/C15H18N2O4S/c1-4-21-11-7-9(5-6-10(11)18)13-12(14(19)20-3)8(2)16-15(22)17-13/h5-7,13,18H,4H2,1-3H3,(H2,16,17,22)