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

Systemtic Name: 2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCSC)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CCSC)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-15-18-9-10-21(31-14-22(27)26-20(24(28)29)11-12-33-3)16(2)23(18)32-25(30)19(15)13-17-7-5-4-6-8-17/h4-10,20H,11-14H2,1-3H3,(H,26,27)(H,28,29)