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

Systemtic Name: (2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-ethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-2-26-18-13-15(19(28)21-11-3-4-12-21)7-10-17(18)27-20(23)14-5-8-16(9-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3