2-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NC(CSC)C(=O)O

InChI

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