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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-phenyl-butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-phenyl-butanedioic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-phenylbutanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-phenylbutanedioic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-phenyl-succinic acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CSC2=NC3=CC=CC=C3S2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CSC2=NC3=CC=CC=C3S2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO4S2/c20-16(21)12(15(17(22)23)11-6-2-1-3-7-11)10-24-18-19-13-8-4-5-9-14(13)25-18/h1-9,12,15H,10H2,(H,20,21)(H,22,23)