2-[2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-8-methyl-4-phenyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25NO6S/c1-18-24(13-12-21-22(14-26(31)35-27(18)21)20-10-6-3-7-11-20)34-15-25(30)29-23(28(32)33)17-36-16-19-8-4-2-5-9-19/h2-14,23H,15-17H2,1H3,(H,29,30)(H,32,33)