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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-13(2)12-21-18(23)14(3)25-20(24)17-15-8-4-5-9-16(15)26-19(17)22-10-6-7-11-22/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,21,23)/t14-/m0/s1