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

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-nitrobenzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-2-27-19-14-15(20(29)22-12-6-3-7-13-22)10-11-18(19)28-21(24)16-8-4-5-9-17(16)23(25)26/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3