2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C19H23NO6S/c1-3-4-5-12-8-18(22)26-16-9-13(6-7-14(12)16)25-10-17(21)20-15(11-27-2)19(23)24/h6-9,15H,3-5,10-11H2,1-2H3,(H,20,21)(H,23,24)