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

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]amino]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(CSCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C

InChI

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