(4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-4-methylsulfanyl-butanoate chloride

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-4-methylsulfanyl-butanoate chloride Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) 2-amino-4-methylsulfanyl-butanoate chloride CAS Name: 2-amino-4-(methylthio)butanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester chloride IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) 2-amino-4-methylsulfanylbutanoate chloride Traditional Name: 2-amino-4-(methylthio)butyric acid (4-keto-3-phenoxy-chromen-7-yl) ester chloride Formula: C20H19ClNO5S- MolecularWeight: 420.88656

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C20H19NO5S.ClH/c1-27-10-9-16(21)20(23)26-14-7-8-15-17(11-14)24-12-18(19(15)22)25-13-5-3-2-4-6-13;/h2-8,11-12,16H,9-10,21H2,1H3;1H/p-1