[2-(naphthalen-2-ylamino)-2-oxidanylidene-1-[6-(4-pentylphenyl)-1-benzothiophen-3-yl]ethyl]phosphonic acid

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-1-[6-(4-pentylphenyl)-1-benzothiophen-3-yl]ethyl]phosphonic acid Openeye Name: [2-(2-naphthylamino)-2-oxo-1-[6-(4-pentylphenyl)benzothiophen-3-yl]ethyl]phosphonic acid CAS Name: [2-(2-naphthalenylamino)-2-oxo-1-[6-(4-pentylphenyl)-1-benzothiophen-3-yl]ethyl]phosphonic acid IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxo-1-[6-(4-pentylphenyl)-1-benzothiophen-3-yl]ethyl]phosphonic acid Traditional Name: [1-[6-(4-amylphenyl)benzothiophen-3-yl]-2-keto-2-(2-naphthylamino)ethyl]phosphonic acid Formula: C31H30NO4PS MolecularWeight: 543.612961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CS3)C(C(=O)NC4=CC5=CC=CC=C5C=C4)P(=O)(O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CS3)C(C(=O)NC4=CC5=CC=CC=C5C=C4)P(=O)(O)O

InChI

InChI=1S/C31H30NO4PS/c1-2-3-4-7-21-10-12-23(13-11-21)25-15-17-27-28(20-38-29(27)19-25)30(37(34,35)36)31(33)32-26-16-14-22-8-5-6-9-24(22)18-26/h5-6,8-20,30H,2-4,7H2,1H3,(H,32,33)(H2,34,35,36)