[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-3-17(20(26)23-13-15-9-5-4-6-10-15)28-22(27)19-16-11-7-8-12-18(16)29-21(19)24-14(2)25/h4-6,9-10,17H,3,7-8,11-13H2,1-2H3,(H,23,26)(H,24,25)/t17-/m0/s1