[4-[(6-cyclohexyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]methylphosphonic acid

Systemtic Name: [4-[(6-cyclohexyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]methylphosphonic acid Openeye Name: [4-[(6-cyclohexyl-4-oxo-isothiochromane-1-carbonyl)amino]phenyl]methylphosphonic acid CAS Name: [4-[[(6-cyclohexyl-4-oxo-1H-2-benzothiopyran-1-yl)-oxomethyl]amino]phenyl]methylphosphonic acid IUPAC Name: [4-[(6-cyclohexyl-4-oxo-1H-isothiochromene-1-carbonyl)amino]phenyl]methylphosphonic acid Traditional Name: [4-[(6-cyclohexyl-4-keto-isothiochroman-1-carbonyl)amino]benzyl]phosphonic acid Formula: C23H26NO5PS MolecularWeight: 459.495001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)NC4=CC=C(C=C4)CP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)NC4=CC=C(C=C4)CP(=O)(O)O

InChI

InChI=1S/C23H26NO5PS/c25-21-14-31-22(19-11-8-17(12-20(19)21)16-4-2-1-3-5-16)23(26)24-18-9-6-15(7-10-18)13-30(27,28)29/h6-12,16,22H,1-5,13-14H2,(H,24,26)(H2,27,28,29)