(4-nitrophenyl)methyl 2-[ethyl-(1-methylpyrrolidin-2-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[ethyl-(1-methylpyrrolidin-2-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[ethyl-(1-methylpyrrolidin-2-yl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[ethyl-(1-methyl-2-pyrrolidinyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[ethyl-(1-methylpyrrolidin-2-yl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[ethyl-(1-methylpyrrolidin-2-yl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CCN(C1CCCN1C)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C20H28N4O5S/c1-3-22(18-5-4-10-21(18)2)19(25)17-11-16(30)12-23(17)20(26)29-13-14-6-8-15(9-7-14)24(27)28/h6-9,16-18,30H,3-5,10-13H2,1-2H3