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

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H21Cl2NO3S MolecularWeight: 414.34594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO3S/c1-11(18(23)22-10-12-5-3-2-4-6-12)25-19(24)17-16(21)14-8-7-13(20)9-15(14)26-17/h7-9,11-12H,2-6,10H2,1H3,(H,22,23)/t11-/m0/s1