(4-nitrophenyl)methyl N-[4-(3-sulfanylpyrrolidin-1-yl)phenyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[4-(3-sulfanylpyrrolidin-1-yl)phenyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[4-(3-sulfanylpyrrolidin-1-yl)phenyl]carbamate CAS Name: N-[4-(3-mercapto-1-pyrrolidinyl)phenyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[4-(3-sulfanylpyrrolidin-1-yl)phenyl]carbamate Traditional Name: N-[4-(3-mercaptopyrrolidino)phenyl]carbamic acid (4-nitrobenzyl) ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C2=CC=C(C=C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1S)C2=CC=C(C=C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c22-18(25-12-13-1-5-16(6-2-13)21(23)24)19-14-3-7-15(8-4-14)20-10-9-17(26)11-20/h1-8,17,26H,9-12H2,(H,19,22)