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

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-oxochromene-2-carbonyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-oxochromene-2-carbonyl)amino]butanoate Traditional Name: 2-[(4-ketochromene-2-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=CC(=O)C2=CC=CC=C2O1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=O)C2=CC=CC=C2O1

InChI

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