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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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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=C2C)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C20H25N3O4S/c1-6-27-20(24)18-15(14(9-21)19(22)28-18)11-23(3)10-13-8-17(26-5)16(25-4)7-12(13)2/h7-8H,6,10-11,22H2,1-5H3