tert-butyl N-[2-[(5-chloranyl-7-cyano-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(5-chloranyl-7-cyano-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(5-chloro-7-cyano-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate CAS Name: N-[2-[(5-chloro-7-cyano-1,2-benzoxazol-3-yl)thio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(5-chloro-7-cyano-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate Traditional Name: N-[2-[(5-chloro-7-cyano-indoxazen-3-yl)thio]ethyl]carbamic acid tert-butyl ester Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C=C(C=C2C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C=C(C=C2C#N)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-15(2,3)21-14(20)18-4-5-23-13-11-7-10(16)6-9(8-17)12(11)22-19-13/h6-7H,4-5H2,1-3H3,(H,18,20)