ethyl 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H21N3O4S/c1-2-23-16(22)14-10-4-3-5-11(10)24-15(14)18-13(21)9-19-7-6-17-12(20)8-19/h2-9H2,1H3,(H,17,20)(H,18,21)/p+1