3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanoic acid

Systemtic Name: 3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanoic acid Openeye Name: 3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanoic acid CAS Name: 3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)thio]butanoic acid IUPAC Name: 3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]butanoic acid Traditional Name: 3-methyl-2-[(5-methyl-1,3-benzoxazol-2-yl)thio]butyric acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SC(C(C)C)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-7(2)11(12(15)16)18-13-14-9-6-8(3)4-5-10(9)17-13/h4-7,11H,1-3H3,(H,15,16)