methyl (2S)-2-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(6-chloro-4-oxo-chromene-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(6-chloro-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6-chloro-4-oxochromene-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(6-chloro-4-keto-chromene-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C16H16ClNO5S/c1-22-16(21)11(5-6-24-2)18-15(20)14-8-12(19)10-7-9(17)3-4-13(10)23-14/h3-4,7-8,11H,5-6H2,1-2H3,(H,18,20)/t11-/m0/s1