tert-butyl N-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[2-chloro-3-(4-nitrophenyl)sulfanyl-propyl]carbamate CAS Name: N-[2-chloro-3-[(4-nitrophenyl)thio]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-chloro-3-(4-nitrophenyl)sulfanylpropyl]carbamate Traditional Name: N-[2-chloro-3-[(4-nitrophenyl)thio]propyl]carbamic acid tert-butyl ester Formula: C14H19ClN2O4S MolecularWeight: 346.82966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CSC1=CC=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CSC1=CC=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN2O4S/c1-14(2,3)21-13(18)16-8-10(15)9-22-12-6-4-11(5-7-12)17(19)20/h4-7,10H,8-9H2,1-3H3,(H,16,18)