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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-ketopiperazino)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-28-21(27)19-18(15-7-5-13(2)6-8-15)14(3)29-20(19)23-17(26)12-24-10-9-22-16(25)11-24/h5-8H,4,9-12H2,1-3H3,(H,22,25)(H,23,26)