methyl 3-[2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(1H-benzo[f]benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-benzo[f]benzimidazol-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3N2

InChI

InChI=1S/C21H17N3O3S/c1-27-20(26)15-7-4-8-16(9-15)22-19(25)12-28-21-23-17-10-13-5-2-3-6-14(13)11-18(17)24-21/h2-11H,12H2,1H3,(H,22,25)(H,23,24)