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

Systemtic Name: 2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyric acid Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6S/c1-15-19-10-11-22(32-17(3)24(28)27-21(25(29)30)12-13-34-4)16(2)23(19)33-26(31)20(15)14-18-8-6-5-7-9-18/h5-11,17,21H,12-14H2,1-4H3,(H,27,28)(H,29,30)