(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)disulfanyl]-N-methyl-carbamate

Systemtic Name: (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)disulfanyl]-N-methyl-carbamate Openeye Name: (2-methyl-2,3-dihydrobenzofuran-7-yl) N-[(4-tert-butylphenyl)disulfanyl]-N-methyl-carbamate CAS Name: N-[(4-tert-butylphenyl)disulfanyl]-N-methylcarbamic acid (2-methyl-2,3-dihydrobenzofuran-7-yl) ester IUPAC Name: (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-[(4-tert-butylphenyl)disulfanyl]-N-methylcarbamate Traditional Name: N-[(4-tert-butylphenyl)disulfanyl]-N-methyl-carbamic acid (2-methylcoumaran-7-yl) ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25NO3S2/c1-14-13-15-7-6-8-18(19(15)24-14)25-20(23)22(5)27-26-17-11-9-16(10-12-17)21(2,3)4/h6-12,14H,13H2,1-5H3