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

Systemtic Name: methyl (4S)-6-(4-chlorophenyl)-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-benzyloxyphenyl)-6-(4-chlorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(4-chlorophenyl)-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(4-chlorophenyl)-4-(4-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-benzoxyphenyl)-6-(4-chlorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(NC(=S)N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-30-24(29)21-22(17-7-11-19(26)12-8-17)27-25(32)28-23(21)18-9-13-20(14-10-18)31-15-16-5-3-2-4-6-16/h2-14,23H,15H2,1H3,(H2,27,28,32)/t23-/m0/s1