tert-butyl N-[2-chloranyl-4-(dimethylcarbamoyl)-5-(2-nitrophenyl)sulfanyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[2-chloranyl-4-(dimethylcarbamoyl)-5-(2-nitrophenyl)sulfanyl-phenyl]carbamate Openeye Name: tert-butyl N-[2-chloro-4-(dimethylcarbamoyl)-5-(2-nitrophenyl)sulfanyl-phenyl]carbamate CAS Name: N-[2-chloro-4-[dimethylamino(oxo)methyl]-5-[(2-nitrophenyl)thio]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-chloro-4-(dimethylcarbamoyl)-5-(2-nitrophenyl)sulfanylphenyl]carbamate Traditional Name: N-[2-chloro-4-(dimethylcarbamoyl)-5-[(2-nitrophenyl)thio]phenyl]carbamic acid tert-butyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)N(C)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)N(C)C)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-20(2,3)29-19(26)22-14-11-17(12(10-13(14)21)18(25)23(4)5)30-16-9-7-6-8-15(16)24(27)28/h6-11H,1-5H3,(H,22,26)