ethyl 5-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-pivaloylisonipecotoyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C22H28N2O4S/c1-5-28-20(26)18-13-15-12-16(6-7-17(15)29-18)23-19(25)14-8-10-24(11-9-14)21(27)22(2,3)4/h6-7,12-14H,5,8-11H2,1-4H3,(H,23,25)