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

Systemtic Name: 2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6S/c1-14-17-9-10-20(30-12-21(26)25-19(13-32-3)23(27)28)15(2)22(17)31-24(29)18(14)11-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3,(H,25,26)(H,27,28)