tert-butyl N-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]carbamate; ethyl thiophene-2-carboxylate

Systemtic Name: tert-butyl N-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]carbamate; ethyl thiophene-2-carboxylate Openeye Name: tert-butyl N-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]carbamate; ethyl thiophene-2-carboxylate CAS Name: N-[3-(dicyanomethyl)-4,4-dimethoxybutyl]carbamic acid tert-butyl ester; 2-thiophenecarboxylic acid ethyl ester IUPAC Name: tert-butyl N-[3-(dicyanomethyl)-4,4-dimethoxybutyl]carbamate; ethyl thiophene-2-carboxylate Traditional Name: N-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]carbamic acid tert-butyl ester; thiophene-2-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CS1.CC(C)(C)OC(=O)NCCC(C(C#N)C#N)C(OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=CS1.CC(C)(C)OC(=O)NCCC(C(C#N)C#N)C(OC)OC

InChI

InChI=1S/C14H23N3O4.C7H8O2S/c1-14(2,3)21-13(18)17-7-6-11(10(8-15)9-16)12(19-4)20-5;1-2-9-7(8)6-4-3-5-10-6/h10-12H,6-7H2,1-5H3,(H,17,18);3-5H,2H2,1H3