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

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(4-butyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(4-butyl-2-keto-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyric acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H27NO6S/c1-4-5-6-14-11-19(23)28-18-12-15(7-8-16(14)18)27-13(2)20(24)22-17(21(25)26)9-10-29-3/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H,22,24)(H,25,26)