[4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 3-nitrobenzoate Openeye Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[2,5-dimethyl-3-[4-morpholinyl(sulfanylidene)methyl]-1-pyrrolyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C(=S)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C(=S)N4CCOCC4

InChI

InChI=1S/C24H23N3O5S/c1-16-14-22(23(33)25-10-12-31-13-11-25)17(2)26(16)19-6-8-21(9-7-19)32-24(28)18-4-3-5-20(15-18)27(29)30/h3-9,14-15H,10-13H2,1-2H3