2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfanyl)ethanoic acid Openeye Name: 2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfanyl)acetic acid CAS Name: 2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthio)acetic acid IUPAC Name: 2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfanyl)acetic acid Traditional Name: 2-phenyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthio)acetic acid Formula: C15H15NO2S2 MolecularWeight: 305.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)SC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C15H15NO2S2/c17-14(18)13(10-6-2-1-3-7-10)20-15-16-11-8-4-5-9-12(11)19-15/h1-3,6-7,13H,4-5,8-9H2,(H,17,18)