2-(4-ethoxycarbonylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-(2-thenoylamino)benzoic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-2-27-19(26)22-9-7-21(8-10-22)15-6-5-13(12-14(15)18(24)25)20-17(23)16-4-3-11-28-16/h3-6,11-12H,2,7-10H2,1H3,(H,20,23)(H,24,25)