[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H15Cl2NO3S MolecularWeight: 408.2983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H15Cl2NO3S/c1-22(2)18(23)16(11-6-4-3-5-7-11)25-19(24)17-15(21)13-9-8-12(20)10-14(13)26-17/h3-10,16H,1-2H3/t16-/m0/s1