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

Systemtic Name: methyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H16FN3O3S2 MolecularWeight: 429.487743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16FN3O3S2/c1-27-18(25)16-14(10-28-20-23-13-4-2-3-5-15(13)29-20)22-19(26)24-17(16)11-6-8-12(21)9-7-11/h2-9,17H,10H2,1H3,(H2,22,24,26)/t17-/m0/s1