S-[1-[(4-nitrophenyl)methoxycarbonyl-(4-pyridin-4-ylbutyl)carbamoyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[(4-nitrophenyl)methoxycarbonyl-(4-pyridin-4-ylbutyl)carbamoyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[(4-nitrophenyl)methoxycarbonyl-[4-(4-pyridyl)butyl]carbamoyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[[(4-nitrophenyl)methoxy-oxomethyl]-(4-pyridin-4-ylbutyl)amino]-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-[(4-nitrophenyl)methoxycarbonyl-(4-pyridin-4-ylbutyl)carbamoyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(4-nitrobenzyl)oxycarbonyl-[4-(4-pyridyl)butyl]carbamoyl]pyrrolidin-3-yl] ester Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C1)C(=O)N(CCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCN(C1)C(=O)N(CCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O6S/c1-18(29)35-22-11-15-26(16-22)23(30)27(14-3-2-4-19-9-12-25-13-10-19)24(31)34-17-20-5-7-21(8-6-20)28(32)33/h5-10,12-13,22H,2-4,11,14-17H2,1H3