4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzoic acid Formula: C26H23N3O3S MolecularWeight: 457.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCCC(=O)NC4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C26H23N3O3S/c27-16-21-15-20-14-19(17-4-2-1-3-5-17)8-11-23(20)29-25(21)33-13-12-24(30)28-22-9-6-18(7-10-22)26(31)32/h1-7,9-10,15,19H,8,11-14H2,(H,28,30)(H,31,32)