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

Systemtic Name: 2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6S/c1-9-5-15(19)23-13-6-10(3-4-11(9)13)22-7-14(18)17-12(8-24-2)16(20)21/h3-6,12H,7-8H2,1-2H3,(H,17,18)(H,20,21)