2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(7-tert-butyl-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:

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO4S2/c1-15(2,3)8-5-4-6-9-12(8)22-14(16-9)21-10(13(19)20)7-11(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)