2-[(4-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4-tert-butyl-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4-tert-butyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4-tert-butyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)OC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)OC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO5S/c1-15(2,3)8-5-4-6-9-12(8)16-14(21-9)22-10(13(19)20)7-11(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)