methyl (6S)-3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2)C3CC3)CSC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H24N2O5S/c1-29-23(27)21-18(14-32-17-9-10-19-20(13-17)31-12-11-30-19)26(16-7-8-16)24(28)25-22(21)15-5-3-2-4-6-15/h2-6,9-10,13,16,22H,7-8,11-12,14H2,1H3,(H,25,28)/t22-/m0/s1