ethyl 5-azanyl-3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[methyl(piperonyl)amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O4S/c1-3-23-18(22)16-13(12(7-19)17(20)26-16)9-21(2)8-11-4-5-14-15(6-11)25-10-24-14/h4-6H,3,8-10,20H2,1-2H3