2-methylpropyl (4S)-4-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4S)-4-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-4-(4-iodophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-4-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-iodophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C16H19IN2O2S MolecularWeight: 430.30373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)I)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)I)C(=O)OCC(C)C

InChI

InChI=1S/C16H19IN2O2S/c1-9(2)8-21-15(20)13-10(3)18-16(22)19-14(13)11-4-6-12(17)7-5-11/h4-7,9,14H,8H2,1-3H3,(H2,18,19,22)/t14-/m0/s1