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

Systemtic Name: ethyl 3-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(3-ketopiperazino)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O4S/c1-2-26-19(25)18-14(10-15(27-18)13-6-4-3-5-7-13)21-17(24)12-22-9-8-20-16(23)11-22/h3-7,10H,2,8-9,11-12H2,1H3,(H,20,23)(H,21,24)