(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H21Cl2NO3S MolecularWeight: 438.36734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO3S/c1-2-26-19-12-14(20(28)24-10-4-3-5-11-24)6-9-18(19)27-21(25)16-13-15(22)7-8-17(16)23/h6-9,12-13H,2-5,10-11H2,1H3