(2S)-3-(2-ethylphenyl)-6-oxidanylidene-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-3-(2-ethylphenyl)-6-oxidanylidene-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-3-(2-ethylphenyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-3-(2-ethylphenyl)-4-mercapto-6-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-3-(2-ethylphenyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-3-(2-ethylphenyl)-6-keto-4-mercapto-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1N2[C@H](NC(=O)C(=C2S)C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H23N3O4S/c1-5-13-8-6-7-9-16(13)25-20(24-21(26)15(12-23)22(25)30)14-10-17(27-2)19(29-4)18(11-14)28-3/h6-11,20,30H,5H2,1-4H3,(H,24,26)/t20-/m0/s1