2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate hydrochloride

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate hydrochloride Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl N-methyl-N-[2-(2-pyridyl)ethyl]carbamate hydrochloride CAS Name: N-methyl-N-[2-(2-pyridinyl)ethyl]carbamic acid 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl ester hydrochloride IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate hydrochloride Traditional Name: N-methyl-N-[2-(2-pyridyl)ethyl]carbamic acid 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl ester hydrochloride Formula: C25H37ClN2O3S MolecularWeight: 481.09088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCOC(=O)N(C)CCC2=CC=CC=N2.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCOC(=O)N(C)CCC2=CC=CC=N2.Cl

InChI

InChI=1S/C25H36N2O3S.ClH/c1-24(2,3)20-16-19(17-21(22(20)28)25(4,5)6)31-15-14-30-23(29)27(7)13-11-18-10-8-9-12-26-18;/h8-10,12,16-17,28H,11,13-15H2,1-7H3;1H