[4-[(6,7-dimethyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]methylphosphonic acid

Systemtic Name: [4-[(6,7-dimethyl-4-oxidanylidene-1H-isothiochromen-1-yl)carbonylamino]phenyl]methylphosphonic acid Openeye Name: [4-[(6,7-dimethyl-4-oxo-isothiochromane-1-carbonyl)amino]phenyl]methylphosphonic acid CAS Name: [4-[[(6,7-dimethyl-4-oxo-1H-2-benzothiopyran-1-yl)-oxomethyl]amino]phenyl]methylphosphonic acid IUPAC Name: [4-[(6,7-dimethyl-4-oxo-1H-isothiochromene-1-carbonyl)amino]phenyl]methylphosphonic acid Traditional Name: [4-[(4-keto-6,7-dimethyl-isothiochroman-1-carbonyl)amino]benzyl]phosphonic acid Formula: C19H20NO5PS MolecularWeight: 405.404561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)NC3=CC=C(C=C3)CP(=O)(O)O)C

Isomeric SMILES

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)NC3=CC=C(C=C3)CP(=O)(O)O)C

InChI

InChI=1S/C19H20NO5PS/c1-11-7-15-16(8-12(11)2)18(27-10-17(15)21)19(22)20-14-5-3-13(4-6-14)9-26(23,24)25/h3-8,18H,9-10H2,1-2H3,(H,20,22)(H2,23,24,25)