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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO6S/c1-2-6-17-11-23(27)31-21-12-18(9-10-19(17)21)30-13-22(26)25-20(24(28)29)15-32-14-16-7-4-3-5-8-16/h3-5,7-12,20H,2,6,13-15H2,1H3,(H,25,26)(H,28,29)