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

Systemtic Name: 2-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C20H21NO6S/c1-10-9-26-16-8-17-13(6-12(10)16)11(2)14(20(25)27-17)7-18(22)21-15(19(23)24)4-5-28-3/h6,8-9,15H,4-5,7H2,1-3H3,(H,21,22)(H,23,24)