ethyl 5-azanyl-3-[[[2,3-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[[2,3-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2,3-dichlorophenyl)methyl-methyl-amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2,3-dichlorobenzyl)-methyl-amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H17Cl2N3O2S MolecularWeight: 398.30678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O2S/c1-3-24-17(23)15-12(11(7-20)16(21)25-15)9-22(2)8-10-5-4-6-13(18)14(10)19/h4-6H,3,8-9,21H2,1-2H3