methyl 5-chloranyl-2-[(3-methylsulfonyl-1H-indol-7-yl)sulfanyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 5-chloranyl-2-[(3-methylsulfonyl-1H-indol-7-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 5-chloro-2-[(3-methylsulfonyl-1H-indol-7-yl)sulfanyl]-1H-benzimidazole-4-carboxylate CAS Name: 5-chloro-2-[(3-methylsulfonyl-1H-indol-7-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(3-methylsulfonyl-1H-indol-7-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Traditional Name: 5-chloro-2-[(3-mesyl-1H-indol-7-yl)thio]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC=CC4=C3NC=C4S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC=CC4=C3NC=C4S(=O)(=O)C)Cl

InChI

InChI=1S/C18H14ClN3O4S2/c1-26-17(23)14-10(19)6-7-11-16(14)22-18(21-11)27-12-5-3-4-9-13(28(2,24)25)8-20-15(9)12/h3-8,20H,1-2H3,(H,21,22)