ethyl (6S)-3-ethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-4-[[(1-methyltetrazol-5-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NN=NN3C

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NN=NN3C

InChI

InChI=1S/C18H22N6O3S/c1-4-24-13(11-28-18-20-21-22-23(18)3)14(16(25)27-5-2)15(19-17(24)26)12-9-7-6-8-10-12/h6-10,15H,4-5,11H2,1-3H3,(H,19,26)/t15-/m0/s1