2-[2-[(2-methyl-4-oxidanylidene-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(2-methyl-4-oxidanylidene-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]ethanoic acid Openeye Name: 2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid CAS Name: 2-[[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid Traditional Name: 2-[2-[(4-keto-2-methyl-1,3-benzodioxin-2-yl)thio]propanoylamino]acetic acid Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)SC1(OC2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CC(C(=O)NCC(=O)O)SC1(OC2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C14H15NO6S/c1-8(12(18)15-7-11(16)17)22-14(2)20-10-6-4-3-5-9(10)13(19)21-14/h3-6,8H,7H2,1-2H3,(H,15,18)(H,16,17)