methyl (2S)-4-methylsulfanyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxochromene-3-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxochromene-3-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(2-ketochromene-3-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C16H17NO5S/c1-21-16(20)12(7-8-23-2)17-14(18)11-9-10-5-3-4-6-13(10)22-15(11)19/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)/t12-/m0/s1