ethyl 2-azanyl-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[methyl(veratryl)amino]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC(=C(C=C2)OC)OC)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC(=C(C=C2)OC)OC)C(=O)NC)N

InChI

InChI=1S/C20H27N3O5S/c1-6-28-20(25)16-13(17(19(24)22-2)29-18(16)21)11-23(3)10-12-7-8-14(26-4)15(9-12)27-5/h7-9H,6,10-11,21H2,1-5H3,(H,22,24)