3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-ethyl-4-(4-methoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H18N2O3S/c1-4-17-13(10-5-7-11(20-3)8-6-10)12(14(18)19)9(2)16-15(17)21/h5-8,13H,4H2,1-3H3,(H,16,21)(H,18,19)