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

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(5-methyl-2-furyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(5-methyl-2-furanyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methylfuran-2-yl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H21N3O5S/c1-3-25-18(24)16-12(13-5-4-11(2)26-13)10-27-17(16)20-15(23)9-21-7-6-19-14(22)8-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)(H,20,23)/p+1