[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-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 [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 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 [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-13(17(23)21-20(2,3)4)25-19(24)16-14-9-5-6-10-15(14)26-18(16)22-11-7-8-12-22/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,21,23)/t13-/m1/s1