2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-propyl-butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-propyl-butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-propyl-butanedioic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-propylbutanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-propylbutanedioic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-propyl-succinic acid Formula: C15H17NO4S2 MolecularWeight: 339.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO4S2/c1-2-5-9(13(17)18)10(14(19)20)8-21-15-16-11-6-3-4-7-12(11)22-15/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,17,18)(H,19,20)