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

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H23N3O3S2/c1-4-26-19(25)17-13(9-12(2)3)10-27-18(17)23-16(24)11-28-20-21-14-7-5-6-8-15(14)22-20/h5-8,10,12H,4,9,11H2,1-3H3,(H,21,22)(H,23,24)