[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19Cl2NO4S MolecularWeight: 404.30806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2NO4S/c1-8(2)7-20-16(21)9(3)24-17(22)15-12(18)10-5-6-11(23-4)13(19)14(10)25-15/h5-6,8-9H,7H2,1-4H3,(H,20,21)/t9-/m0/s1