2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)N=C(O2)SC(CC(=O)O)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)N=C(O2)SC(CC(=O)O)C(=O)O)C)C

InChI

InChI=1S/C15H17NO5S/c1-6-7(2)9(4)13-12(8(6)3)16-15(21-13)22-10(14(19)20)5-11(17)18/h10H,5H2,1-4H3,(H,17,18)(H,19,20)