(E)-3-azanyl-2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetyl]but-2-enenitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3)/N

InChI

InChI=1S/C22H19N3O2S/c1-14(24)19(12-23)21(26)13-28-22-11-18(15-6-4-3-5-7-15)17-9-8-16(27-2)10-20(17)25-22/h3-11H,13,24H2,1-2H3/b19-14+