ethyl 2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[3-(pivaloylamino)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-6-15-12-16(19(25)27-7-2)18(28-15)23-17(24)13-9-8-10-14(11-13)22-20(26)21(3,4)5/h8-12H,6-7H2,1-5H3,(H,22,26)(H,23,24)