(2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[2-(4-ethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[2-(4-ethyl-2-keto-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C19H23NO6S/c1-4-12-9-17(21)26-16-10-13(5-6-14(12)16)25-11(2)18(22)20-15(19(23)24)7-8-27-3/h5-6,9-11,15H,4,7-8H2,1-3H3,(H,20,22)(H,23,24)/t11?,15-/m0/s1