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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 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-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenoxyanilino)propan-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)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C26H26N2O5S/c1-16(24(30)28-18-12-14-20(15-13-18)33-19-8-4-3-5-9-19)32-26(31)23-21-10-6-7-11-22(21)34-25(23)27-17(2)29/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,27,29)(H,28,30)/t16-/m0/s1