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

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[methyl(naphthalen-2-ylmethyl)amino]methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[methyl(2-naphthylmethyl)amino]methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[methyl(2-naphthalenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[methyl(naphthalen-2-ylmethyl)amino]methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[methyl(2-naphthylmethyl)amino]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC3=CC=CC=C3C=C2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC3=CC=CC=C3C=C2)C(=O)NC)N

InChI

InChI=1S/C22H25N3O3S/c1-4-28-22(27)18-17(19(21(26)24-2)29-20(18)23)13-25(3)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,4,12-13,23H2,1-3H3,(H,24,26)