ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-[2-(2-ketoazepan-1-yl)acetyl]oxyacetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C21H29N3O7S/c1-5-30-21(29)17-13(2)18(20(28)23(3)4)32-19(17)22-14(25)12-31-16(27)11-24-10-8-6-7-9-15(24)26/h5-12H2,1-4H3,(H,22,25)