(4-pyrrolidin-1-ylcarbothioylphenyl) 2,5-bis(chloranyl)benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbothioylphenyl) 2,5-bis(chloranyl)benzoate Openeye Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H15Cl2NO2S MolecularWeight: 380.2882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C(=S)C2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2NO2S/c19-13-5-8-16(20)15(11-13)18(22)23-14-6-3-12(4-7-14)17(24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2