4-[2-[4-[(4-oxidanylidene-2,3-dihydrothiochromen-3-yl)carbonylamino]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-[(4-oxidanylidene-2,3-dihydrothiochromen-3-yl)carbonylamino]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[4-[(4-oxothiochromane-3-carbonyl)amino]phenyl]ethyl]benzoic acid CAS Name: 4-[2-[4-[[oxo-(4-oxo-2,3-dihydro-1-benzothiopyran-3-yl)methyl]amino]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-[(4-oxo-2,3-dihydrothiochromene-3-carbonyl)amino]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[4-[(4-ketothiochroman-3-carbonyl)amino]phenyl]ethyl]benzoic acid Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2S1)C(=O)NC3=CC=C(C=C3)CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21NO4S/c27-23-20-3-1-2-4-22(20)31-15-21(23)24(28)26-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)25(29)30/h1-4,7-14,21H,5-6,15H2,(H,26,28)(H,29,30)