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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-ethyl-butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-ethyl-butanedioic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-ethylbutanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-ethylbutanedioic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-ethyl-succinic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S2/c1-2-8(12(16)17)9(13(18)19)7-20-14-15-10-5-3-4-6-11(10)21-14/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H,18,19)