2-[4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-2-naphthyl]thio]acetic acid Formula: C20H16N2O7S2 MolecularWeight: 460.48024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SCC(=O)O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SCC(=O)O)OC1=O

InChI

InChI=1S/C20H16N2O7S2/c1-22-15-7-6-11(8-16(15)29-20(22)26)31(27,28)21-14-9-17(30-10-18(23)24)19(25)13-5-3-2-4-12(13)14/h2-9,21,25H,10H2,1H3,(H,23,24)