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

Systemtic Name: ethyl 5-methyl-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCNC(=O)C3

InChI

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