[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)22-18(25)13-23-8-10-24(11-9-23)19(26)14-28-20(27)17-12-15-6-4-5-7-16(15)29-17/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,25)