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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(3-ketopiperazino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H24N4O5S MolecularWeight: 396.46126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CN2CCNC(=O)C2

InChI

InChI=1S/C17H24N4O5S/c1-5-26-17(25)13-10(2)14(16(24)20(3)4)27-15(13)19-12(23)9-21-7-6-18-11(22)8-21/h5-9H2,1-4H3,(H,18,22)(H,19,23)