2-[(6-ethylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid

Systemtic Name: 2-[(6-ethylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid Openeye Name: 2-[(6-ethylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid CAS Name: 2-[[6-(ethylthio)-1,3-benzothiazol-2-yl]thio]pentanedioic acid IUPAC Name: 2-[(6-ethylsulfanyl-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid Traditional Name: 2-[[6-(ethylthio)-1,3-benzothiazol-2-yl]thio]glutaric acid Formula: C14H15NO4S3 MolecularWeight: 357.4682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)N=C(S2)SC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCSC1=CC2=C(C=C1)N=C(S2)SC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO4S3/c1-2-20-8-3-4-9-11(7-8)22-14(15-9)21-10(13(18)19)5-6-12(16)17/h3-4,7,10H,2,5-6H2,1H3,(H,16,17)(H,18,19)