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

Systemtic Name: 2-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H25NO4S2/c1-18(2,3)10-19(4,5)11-6-7-12-13(8-11)25-17(20-12)26-14(16(23)24)9-15(21)22/h6-8,14H,9-10H2,1-5H3,(H,21,22)(H,23,24)