(4-nitrophenyl)methyl 2-[methyl(2-pyridin-3-ylethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[methyl(2-pyridin-3-ylethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[methyl-[2-(3-pyridyl)ethyl]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[methyl-[2-(3-pyridinyl)ethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[methyl(2-pyridin-3-ylethyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[methyl-[2-(3-pyridyl)ethyl]carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CN=CC=C1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN(CCC1=CN=CC=C1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C21H24N4O5S/c1-23(10-8-15-3-2-9-22-12-15)20(26)19-11-18(31)13-24(19)21(27)30-14-16-4-6-17(7-5-16)25(28)29/h2-7,9,12,18-19,31H,8,10-11,13-14H2,1H3