tert-butyl N-[2-[(5-nitro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(5-nitro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(5-nitro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate CAS Name: N-[2-[(5-nitro-1,2-benzoxazol-3-yl)thio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(5-nitro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate Traditional Name: N-[2-[(5-nitroindoxazen-3-yl)thio]ethyl]carbamic acid tert-butyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-14(2,3)21-13(18)15-6-7-23-12-10-8-9(17(19)20)4-5-11(10)22-16-12/h4-5,8H,6-7H2,1-3H3,(H,15,18)