[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H26N2O4S/c1-6-14-8-7-9-15(11-14)22-16(24)12-27-19(25)18-13(2)10-17(28-18)23-20(26)21(3,4)5/h7-11H,6,12H2,1-5H3,(H,22,24)(H,23,26)