methyl (4S)-4-(5-bromanyl-2-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(5-bromanyl-2-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-benzyloxy-5-bromo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(5-bromo-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-benzoxy-5-bromo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c1-12-17(19(24)25-2)18(23-20(27)22-12)15-10-14(21)8-9-16(15)26-11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H2,22,23,27)/t18-/m0/s1