2-(4-azanyl-1,1-dimethoxy-butan-2-yl)propanedinitrile; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate

Systemtic Name: 2-(4-azanyl-1,1-dimethoxy-butan-2-yl)propanedinitrile; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate Openeye Name: 2-[3-amino-1-(dimethoxymethyl)propyl]propanedinitrile; O2-tert-butyl O5-ethyl thiophene-2,5-dicarboxylate CAS Name: 2-(4-amino-1,1-dimethoxybutan-2-yl)propanedinitrile; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester IUPAC Name: 2-(4-amino-1,1-dimethoxybutan-2-yl)propanedinitrile; 2-O-tert-butyl 5-O-ethyl thiophene-2,5-dicarboxylate Traditional Name: 2-[3-amino-1-(dimethoxymethyl)propyl]malononitrile; thiophene-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C(=O)OC(C)(C)C.COC(C(CCN)C(C#N)C#N)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C(=O)OC(C)(C)C.COC(C(CCN)C(C#N)C#N)OC

InChI

InChI=1S/C12H16O4S.C9H15N3O2/c1-5-15-10(13)8-6-7-9(17-8)11(14)16-12(2,3)4;1-13-9(14-2)8(3-4-10)7(5-11)6-12/h6-7H,5H2,1-4H3;7-9H,3-4,10H2,1-2H3