ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylamino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylamino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CNCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CNCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4S/c1-5-27-20(26)16-13(2)17(19(25)23(3)4)28-18(16)22-15(24)12-21-11-14-9-7-6-8-10-14/h6-10,21H,5,11-12H2,1-4H3,(H,22,24)