4-[3-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-4-oxo-thiazolidin-2-yl]benzonitrile CAS Name: 4-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-oxo-2-thiazolidinyl]benzonitrile IUPAC Name: 4-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]benzonitrile Traditional Name: 4-(3-homovanillyl-4-keto-thiazolidin-2-yl)benzonitrile Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2C(SCC2=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2C(SCC2=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H18N2O3S/c1-24-17-10-13(4-7-16(17)22)8-9-21-18(23)12-25-19(21)15-5-2-14(11-20)3-6-15/h2-7,10,19,22H,8-9,12H2,1H3