3-phenylpropyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 3-phenylpropyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid 3-phenylpropyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H19N3O3S/c23-14-18-20(17-11-5-2-6-12-17)24-22(25-21(18)27)29-15-19(26)28-13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12H,7,10,13,15H2,(H,24,25,27)