ethyl 2-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CCN2C3=CC=CC=C3N(C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CCN2C3=CC=CC=C3N(C2=O)C

InChI

InChI=1S/C22H27N3O4S/c1-5-29-21(27)19-15(12-14(2)3)13-30-20(19)23-18(26)10-11-25-17-9-7-6-8-16(17)24(4)22(25)28/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,26)