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

Systemtic Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S/c1-32-17-7-4-15(5-8-17)18-14-34-23(24-18)25-21(28)13-33-22(29)16-6-9-19(20(12-16)27(30)31)26-10-2-3-11-26/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,24,25,28)