[2-(3-imidazol-1-ylpyrrolidin-1-yl)carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(3-imidazol-1-ylpyrrolidin-1-yl)carbonyl-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-(3-imidazol-1-ylpyrrolidine-1-carbonyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-[[3-(1-imidazolyl)-1-pyrrolidinyl]-oxomethyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-(3-imidazol-1-ylpyrrolidine-1-carbonyl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-(3-imidazol-1-ylpyrrolidine-1-carbonyl)-4-nitro-benzyl] ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C=CN=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])COC(=O)N4CCC(C4)S

Isomeric SMILES

C1CN(CC1N2C=CN=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])COC(=O)N4CCC(C4)S

InChI

InChI=1S/C20H23N5O5S/c26-19(22-6-3-16(10-22)24-8-5-21-13-24)18-9-15(25(28)29)2-1-14(18)12-30-20(27)23-7-4-17(31)11-23/h1-2,5,8-9,13,16-17,31H,3-4,6-7,10-12H2