tert-butyl N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamate CAS Name: N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamate Traditional Name: N-[2-(1,2,3,4,5-benzopentathiepin-6-yl)ethyl]carbamic acid tert-butyl ester Formula: C13H17NO2S5 MolecularWeight: 379.60458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=C2C(=CC=C1)SSSSS2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=C2C(=CC=C1)SSSSS2

InChI

InChI=1S/C13H17NO2S5/c1-13(2,3)16-12(15)14-8-7-9-5-4-6-10-11(9)18-20-21-19-17-10/h4-6H,7-8H2,1-3H3,(H,14,15)