2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-10-11(2)18(23)25-15-8-12(4-5-13(10)15)24-9-16(20)19-14(17(21)22)6-7-26-3/h4-5,8,14H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)