ethyl 4,5-dimethyl-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

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