tert-butyl 13-(2-chloranylethanoyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate

Systemtic Name: tert-butyl 13-(2-chloranylethanoyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate Openeye Name: tert-butyl 13-(2-chloroacetyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate CAS Name: 13-(2-chloro-1-oxoethyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 13-(2-chloroacetyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylate Traditional Name: 13-(2-chloroacetyl)-1,9-dithia-5,13-diazacyclohexadecane-5-carboxylic acid tert-butyl ester Formula: C19H35ClN2O3S2 MolecularWeight: 439.0758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSCCCN(CCCSCCC1)C(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCSCCCN(CCCSCCC1)C(=O)CCl

InChI

InChI=1S/C19H35ClN2O3S2/c1-19(2,3)25-18(24)22-10-6-14-26-12-4-8-21(17(23)16-20)9-5-13-27-15-7-11-22/h4-16H2,1-3H3