(2-oxidanylidenechromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (2-oxochromen-7-yl) 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (2-ketochromen-7-yl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C16H17NO5S/c1-10(18)17-13(7-8-23-2)16(20)21-12-5-3-11-4-6-15(19)22-14(11)9-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,18)