2-azanyl-4-methylsulfanyl-butanoic acid; chromen-2-one

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; chromen-2-one Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; chromen-2-one CAS Name: 2-amino-4-(methylthio)butanoic acid; 1-benzopyran-2-one IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; chromen-2-one Traditional Name: 2-amino-4-(methylthio)butyric acid; coumarin Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C9H6O2.C5H11NO2S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-9-3-2-4(6)5(7)8/h1-6H;4H,2-3,6H2,1H3,(H,7,8)