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

Systemtic Name: 3-methylsulfanyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(methylthio)-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid Traditional Name: 2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CSCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C19H17NO6S/c1-27-10-15(18(22)23)20-17(21)9-25-11-6-7-13-12-4-2-3-5-14(12)19(24)26-16(13)8-11/h2-8,15H,9-10H2,1H3,(H,20,21)(H,22,23)