[2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[4-(4-phenylphenyl)-2-thiazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C28H24N4O5S MolecularWeight: 528.57896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H24N4O5S/c33-26(17-37-27(34)22-12-13-24(25(16-22)32(35)36)31-14-4-5-15-31)30-28-29-23(18-38-28)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-3,6-13,16,18H,4-5,14-15,17H2,(H,29,30,33)