[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C12H9Cl2NO3S MolecularWeight: 318.17576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO3S/c1-5(11(15)16)18-12(17)10-9(14)7-3-2-6(13)4-8(7)19-10/h2-5H,1H3,(H2,15,16)/t5-/m0/s1