(2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-ethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-ethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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