3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H25N3O4S/c1-13-12-16(23-19(26)21(2,3)4)29-17(13)18(25)28-11-7-10-24-15-9-6-5-8-14(15)22-20(24)27/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,22,27)(H,23,26)