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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H25N3O4S/c1-4-24-17(23)15-12(7-11(2)3)10-25-16(15)19-14(22)9-20-6-5-18-13(21)8-20/h10-11H,4-9H2,1-3H3,(H,18,21)(H,19,22)/p+1