ethyl 5-ethyl-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(=O)OCC

InChI

InChI=1S/C20H23N3O6S2/c1-3-14-11-16(20(26)29-4-2)19(30-14)22-18(25)13-6-5-7-15(10-13)31(27,28)23-9-8-21-17(24)12-23/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,21,24)(H,22,25)