tert-butyl N-[2-[4,5-dimethoxy-2-(3-methylbutoxy)-1,3-benzodithiol-7-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4,5-dimethoxy-2-(3-methylbutoxy)-1,3-benzodithiol-7-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-isopentyloxy-4,5-dimethoxy-1,3-benzodithiol-7-yl)ethyl]carbamate CAS Name: N-[2-[4,5-dimethoxy-2-(3-methylbutoxy)-1,3-benzodithiol-7-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4,5-dimethoxy-2-(3-methylbutoxy)-1,3-benzodithiol-7-yl]ethyl]carbamate Traditional Name: N-[2-(2-isoamoxy-4,5-dimethoxy-1,3-benzodithiol-7-yl)ethyl]carbamic acid tert-butyl ester Formula: C21H33NO5S2 MolecularWeight: 443.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1SC2=C(S1)C(=C(C=C2CCNC(=O)OC(C)(C)C)OC)OC

Isomeric SMILES

CC(C)CCOC1SC2=C(S1)C(=C(C=C2CCNC(=O)OC(C)(C)C)OC)OC

InChI

InChI=1S/C21H33NO5S2/c1-13(2)9-11-26-20-28-17-14(8-10-22-19(23)27-21(3,4)5)12-15(24-6)16(25-7)18(17)29-20/h12-13,20H,8-11H2,1-7H3,(H,22,23)