(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-chloranylbenzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-chloranylbenzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClNO3S/c1-2-25-19-14-15(20(27)23-12-6-3-7-13-23)10-11-18(19)26-21(24)16-8-4-5-9-17(16)22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3