ethyl 4-cyclopropyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-2-28-22(27)20-18(16-8-9-16)15-29-21(20)23-19(26)14-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-7,15-16H,2,8-14H2,1H3,(H,23,26)