methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H16FN3O3S2 MolecularWeight: 441.498443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H16FN3O3S2/c1-28-20(27)18-14(12-6-8-13(22)9-7-12)10-29-19(18)25-17(26)11-30-21-23-15-4-2-3-5-16(15)24-21/h2-10H,11H2,1H3,(H,23,24)(H,25,26)