2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]propionic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C21H19NO6S/c23-19(11-27-16-8-6-15-7-9-20(24)28-18(15)10-16)22-17(21(25)26)13-29-12-14-4-2-1-3-5-14/h1-10,17H,11-13H2,(H,22,23)(H,25,26)