ethyl 4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(2-thienylmethyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-thenyl)piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-20(25)16-5-7-17(8-6-16)21-19(24)15-23-11-9-22(10-12-23)14-18-4-3-13-27-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,24)