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

Systemtic Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)thio]propionic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S/c1-7-2-3-9-8(6-7)12-11(15-9)16-5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)