ethyl 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-(4-bromophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-(4-bromophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-(4-bromophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-5-(4-bromophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-(4-bromophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-5-(4-bromophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H18BrN3O3S2/c1-2-29-21(28)20-17(11-18(31-20)13-7-9-14(23)10-8-13)24-19(27)12-30-22-25-15-5-3-4-6-16(15)26-22/h3-11H,2,12H2,1H3,(H,24,27)(H,25,26)