3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate Openeye Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]propanoate IUPAC Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-tert-butyl-1,3-benzoxazol-2-yl)thio]propionate Formula: C14H16NO3S- MolecularWeight: 278.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)SCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)SCCC(=O)[O-]

InChI

InChI=1S/C14H17NO3S/c1-14(2,3)9-4-5-11-10(8-9)15-13(18-11)19-7-6-12(16)17/h4-5,8H,6-7H2,1-3H3,(H,16,17)/p-1