methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-4-(3-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C21H20N4O4S/c1-28-13-7-5-6-12(10-13)18-17(19(26)29-2)16(22-20(27)25-18)11-30-21-23-14-8-3-4-9-15(14)24-21/h3-10,18H,11H2,1-2H3,(H,23,24)(H2,22,25,27)/t18-/m0/s1