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

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S2/c1-2-28-21(27)15-12-18(14-8-4-3-5-9-14)30-20(15)25-19(26)13-29-22-23-16-10-6-7-11-17(16)24-22/h3-12H,2,13H2,1H3,(H,23,24)(H,25,26)