(2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate

Systemtic Name: (2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate Openeye Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [2-methoxy-5-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H17Cl2NO3S MolecularWeight: 410.31418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCCC2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCCC2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2NO3S/c1-24-16-7-4-12(18(26)22-8-2-3-9-22)10-17(16)25-19(23)14-11-13(20)5-6-15(14)21/h4-7,10-11H,2-3,8-9H2,1H3