2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-thiazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-2-thiazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-1,3-thiazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-4-phenyl-thiazol-2-yl]-2-mercapto-acetic acid Formula: C18H13NO4S2 MolecularWeight: 371.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C3=C(N=C(S3)C(C(=O)O)S)C4=CC=CC=C4)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)C3=C(N=C(S3)C(C(=O)O)S)C4=CC=CC=C4)OO1

InChI

InChI=1S/C18H13NO4S2/c20-18(21)15(24)17-19-14(10-4-2-1-3-5-10)16(25-17)11-6-7-12-9-22-23-13(12)8-11/h1-8,15,24H,9H2,(H,20,21)