[6-chloranyl-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophen-3-yl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [6-chloranyl-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophen-3-yl] 2,4-bis(chloranyl)benzoate Openeye Name: [2-allyl-6-chloro-2-(1H-imidazol-2-ylmethyl)-3H-benzothiophen-3-yl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [6-chloro-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophen-3-yl] ester IUPAC Name: [6-chloro-2-(1H-imidazol-2-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophen-3-yl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [2-allyl-6-chloro-2-(1H-imidazol-2-ylmethyl)-3H-benzothiophen-3-yl] ester Formula: C22H17Cl3N2O2S MolecularWeight: 479.80658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C2=C(S1)C=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl)CC4=NC=CN4

Isomeric SMILES

C=CCC1(C(C2=C(S1)C=C(C=C2)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl)CC4=NC=CN4

InChI

InChI=1S/C22H17Cl3N2O2S/c1-2-7-22(12-19-26-8-9-27-19)20(16-6-4-14(24)11-18(16)30-22)29-21(28)15-5-3-13(23)10-17(15)25/h2-6,8-11,20H,1,7,12H2,(H,26,27)