2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]propionic acid Formula: C25H21NO6S MolecularWeight: 463.50234

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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)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C25H21NO6S/c27-23(26-21(24(28)29)15-33-14-16-6-2-1-3-7-16)13-31-17-10-11-19-18-8-4-5-9-20(18)25(30)32-22(19)12-17/h1-12,21H,13-15H2,(H,26,27)(H,28,29)