(2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-ethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5S/c1-2-27-18-11-13(19(29)22-9-3-4-10-22)5-8-17(18)28-20(24)15-7-6-14(23(25)26)12-16(15)21/h5-8,11-12H,2-4,9-10H2,1H3