(2-bromanyl-6-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2,4-bis(chloranyl)benzoate

Systemtic Name: (2-bromanyl-6-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2,4-bis(chloranyl)benzoate Openeye Name: [2-bromo-6-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [2-bromo-6-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [2-bromo-6-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H20BrCl2NO3S MolecularWeight: 517.2634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrCl2NO3S/c1-2-27-18-11-13(20(29)25-8-4-3-5-9-25)10-16(22)19(18)28-21(26)15-7-6-14(23)12-17(15)24/h6-7,10-12H,2-5,8-9H2,1H3