ethyl 2-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S2/c1-4-27-19(26)17-12(7-11(2)3)9-28-18(17)24-16(25)10-29-20-22-14-6-5-13(21)8-15(14)23-20/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,22,23)(H,24,25)