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

Systemtic Name: ethyl 4-(furan-2-yl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H20N3O5S+ MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C17H19N3O5S/c1-2-24-17(23)15-11(12-4-3-7-25-12)10-26-16(15)19-14(22)9-20-6-5-18-13(21)8-20/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,21)(H,19,22)/p+1