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

Systemtic Name: 2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C27H23NO6S MolecularWeight: 489.53962

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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)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO6S/c29-25(28-23(27(31)32)17-35-16-18-7-3-1-4-8-18)15-33-20-11-12-21-22(19-9-5-2-6-10-19)14-26(30)34-24(21)13-20/h1-14,23H,15-17H2,(H,28,29)(H,31,32)