ethyl 5-azanyl-3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-6-26-20(25)18-17(16(11-22)19(23)27-18)13-24(5)12-14-7-9-15(10-8-14)21(2,3)4/h7-10H,6,12-13,23H2,1-5H3