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

Systemtic Name: ethyl 5-azanyl-3-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-bromophenyl)methyl-methylamino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(4-bromophenyl)methyl-methylamino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(4-bromobenzyl)-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H18BrN3O2S MolecularWeight: 408.31272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2S/c1-3-23-17(22)15-14(13(8-19)16(20)24-15)10-21(2)9-11-4-6-12(18)7-5-11/h4-7H,3,9-10,20H2,1-2H3