3-cyanopropyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: 3-cyanopropyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: 3-cyanopropyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid 3-cyanopropyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCCC#N)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCCC#N)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C16H22N2O3S/c1-10-11(2)22-13(18-15(20)16(3,4)5)12(10)14(19)21-9-7-6-8-17/h6-7,9H2,1-5H3,(H,18,20)