(2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C20H25NO6S/c1-5-13-10-17(22)27-18-11(2)16(7-6-14(13)18)26-12(3)19(23)21-15(20(24)25)8-9-28-4/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,23)(H,24,25)/t12?,15-/m0/s1