2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C17H19NO6S/c1-10-7-16(20)24-14-8-11(3-4-12(10)14)23-9-15(19)18-13(17(21)22)5-6-25-2/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19)(H,21,22)