ethyl 4-cyclopropyl-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H21N3O4S/c1-2-23-16(22)14-11(10-3-4-10)9-24-15(14)18-13(21)8-19-6-5-17-12(20)7-19/h9-10H,2-8H2,1H3,(H,17,20)(H,18,21)/p+1