7-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione

Systemtic Name: 7-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione Openeye Name: 7-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione CAS Name: 7-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]cyclohepta-3,5-diene-1,2-dione IUPAC Name: 7-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione Traditional Name: 7-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]cyclohepta-3,5-diene-1,2-quinone Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3C=CC=CC(=O)C3=O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3C=CC=CC(=O)C3=O

InChI

InChI=1S/C17H14N2O4S/c1-23-10-6-7-12-13(8-10)19-17(18-12)24-9-15(21)11-4-2-3-5-14(20)16(11)22/h2-8,11H,9H2,1H3,(H,18,19)