2-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C24H29NO6S/c1-12-14-9-16-17(24(3,4)5)11-30-20(16)13(2)21(14)31-23(29)15(12)10-19(26)25-18(22(27)28)7-8-32-6/h9,11,18H,7-8,10H2,1-6H3,(H,25,26)(H,27,28)