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

Systemtic Name: 2-[(4,5,6,7-tetramethyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4,5,6,7-tetramethyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4,5,6,7-tetramethyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4,5,6,7-tetramethyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4,5,6,7-tetramethyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C15H17NO4S2 MolecularWeight: 339.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)N=C(S2)SC(CC(=O)O)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)N=C(S2)SC(CC(=O)O)C(=O)O)C)C

InChI

InChI=1S/C15H17NO4S2/c1-6-7(2)9(4)13-12(8(6)3)16-15(22-13)21-10(14(19)20)5-11(17)18/h10H,5H2,1-4H3,(H,17,18)(H,19,20)