methyl 3-cyclopropyl-6-(4-ethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-6-(4-ethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-6-(4-ethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-6-(4-ethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-6-(4-ethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-methyl-6-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3CC3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3CC3)C)C(=O)OC

InChI

InChI=1S/C18H22N2O3S/c1-4-23-14-9-5-12(6-10-14)16-15(17(21)22-3)11(2)20(13-7-8-13)18(24)19-16/h5-6,9-10,13,16H,4,7-8H2,1-3H3,(H,19,24)