propan-2-yl (4R,5S)-4-(4-methoxyphenyl)-6-methylidene-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (4R,5S)-4-(4-methoxyphenyl)-6-methylidene-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-(methylthio)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R,5S)-4-(4-methoxyphenyl)-6-methylidene-2-methylsulfanyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-4-(4-methoxyphenyl)-6-methylene-2-(methylthio)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(N=C(NC1=C)SC)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@@H](N=C(NC1=C)SC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N2O3S/c1-10(2)22-16(20)14-11(3)18-17(23-5)19-15(14)12-6-8-13(21-4)9-7-12/h6-10,14-15H,3H2,1-2,4-5H3,(H,18,19)/t14-,15+/m1/s1