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

Systemtic Name: (phenylmethyl) (4S)-4-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C19H17IN2O2S MolecularWeight: 464.31995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)I)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)I)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17IN2O2S/c1-12-16(18(23)24-11-13-5-3-2-4-6-13)17(22-19(25)21-12)14-7-9-15(20)10-8-14/h2-10,17H,11H2,1H3,(H2,21,22,25)/t17-/m0/s1