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

Systemtic Name: 2-[2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-14-8-18(22-15(2)10-21(26)30-19(22)9-14)29-11-20(25)24-17(23(27)28)13-31-12-16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,24,25)(H,27,28)