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

Systemtic Name: 4-methylsulfanyl-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-28-9-8-16(19(23)24)21-18(22)11-26-12-6-7-14-13-4-2-3-5-15(13)20(25)27-17(14)10-12/h2-7,10,16H,8-9,11H2,1H3,(H,21,22)(H,23,24)