S-(1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(1H-benzimidazol-2-yl) ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N2O4S/c1-21-13-8-10(9-14(22-2)15(13)23-3)16(20)24-17-18-11-6-4-5-7-12(11)19-17/h4-9H,1-3H3,(H,18,19)