2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyric acid Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CCSC)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OC(C)C(=O)NC(CCSC)C(=O)O)C)OC1=O)C

InChI

InChI=1S/C25H35NO6S/c1-6-7-8-9-10-19-15(2)18-11-12-21(16(3)22(18)32-25(19)30)31-17(4)23(27)26-20(24(28)29)13-14-33-5/h11-12,17,20H,6-10,13-14H2,1-5H3,(H,26,27)(H,28,29)