4-methylsulfanyl-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylamino]butanoic acid Openeye Name: 2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylamino]-4-(methylthio)butyric acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO5S/c1-28-10-9-17(21(25)26)22-12-16-18(23)8-7-14-15(11-19(24)27-20(14)16)13-5-3-2-4-6-13/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,25,26)