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

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C24H25NO6S MolecularWeight: 455.5234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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