3-[[3-(dicyanomethyl)-4,4-dimethoxy-butyl]amino]thiophene-2-carboxylate

Systemtic Name: 3-[[3-(dicyanomethyl)-4,4-dimethoxy-butyl]amino]thiophene-2-carboxylate Openeye Name: 3-[[3-(dicyanomethyl)-4,4-dimethoxy-butyl]amino]thiophene-2-carboxylate CAS Name: 3-[[3-(dicyanomethyl)-4,4-dimethoxybutyl]amino]-2-thiophenecarboxylate IUPAC Name: 3-[[3-(dicyanomethyl)-4,4-dimethoxybutyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[3-(dicyanomethyl)-4,4-dimethoxy-butyl]amino]-2-thenoate Formula: C14H16N3O4S- MolecularWeight: 322.35954

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCNC1=C(SC=C1)C(=O)[O-])C(C#N)C#N)OC

Isomeric SMILES

COC(C(CCNC1=C(SC=C1)C(=O)[O-])C(C#N)C#N)OC

InChI

InChI=1S/C14H17N3O4S/c1-20-14(21-2)10(9(7-15)8-16)3-5-17-11-4-6-22-12(11)13(18)19/h4,6,9-10,14,17H,3,5H2,1-2H3,(H,18,19)/p-1