(2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C17H17ClNO6S- MolecularWeight: 398.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H18ClNO6S/c1-8-9-5-11(18)13(20)7-14(9)25-17(24)10(8)6-15(21)19-12(16(22)23)3-4-26-2/h5,7,12,20H,3-4,6H2,1-2H3,(H,19,21)(H,22,23)/p-1/t12-/m1/s1