S-(1H-benzimidazol-2-yl) 2-[3,4-bis(oxidanyl)phenyl]ethanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-[3,4-bis(oxidanyl)phenyl]ethanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-(3,4-dihydroxyphenyl)ethanethioate CAS Name: 2-(3,4-dihydroxyphenyl)ethanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-(3,4-dihydroxyphenyl)ethanethioate Traditional Name: 2-(3,4-dihydroxyphenyl)ethanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C15H12N2O3S/c18-12-6-5-9(7-13(12)19)8-14(20)21-15-16-10-3-1-2-4-11(10)17-15/h1-7,18-19H,8H2,(H,16,17)