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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-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-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H23N3O4S/c1-3-27-20(26)18-15(14-6-4-13(2)5-7-14)12-28-19(18)22-17(25)11-23-9-8-21-16(24)10-23/h4-7,12H,3,8-11H2,1-2H3,(H,21,24)(H,22,25)/p+1