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

Systemtic Name: methyl (4R)-6-ethyl-4-(4-methoxycarbonylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-ethyl-4-(4-methoxycarbonylphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-ethyl-4-(4-methoxycarbonylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-ethyl-4-(4-methoxycarbonylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-carbomethoxyphenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-4-11-12(15(20)22-3)13(18-16(23)17-11)9-5-7-10(8-6-9)14(19)21-2/h5-8,13H,4H2,1-3H3,(H2,17,18,23)/t13-/m1/s1