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

Systemtic Name: (2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-4-(methylthio)butyrate Formula: C18H20NO6S- MolecularWeight: 378.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C18H21NO6S/c1-10-12-4-3-11(20)9-15(12)25-18(24)13(10)5-6-16(21)19-14(17(22)23)7-8-26-2/h3-4,9,14,20H,5-8H2,1-2H3,(H,19,21)(H,22,23)/p-1/t14-/m1/s1