[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-4-20(2,3)21-16(23)13-25-19(24)17-14-9-5-6-10-15(14)26-18(17)22-11-7-8-12-22/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,21,23)