2-morpholin-4-yl-5-(3-thiophen-2-ylpropanoylamino)benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-(3-thiophen-2-ylpropanoylamino)benzoic acid Openeye Name: 2-morpholino-5-[3-(2-thienyl)propanoylamino]benzoic acid CAS Name: 2-(4-morpholinyl)-5-[(1-oxo-3-thiophen-2-ylpropyl)amino]benzoic acid IUPAC Name: 2-morpholin-4-yl-5-(3-thiophen-2-ylpropanoylamino)benzoic acid Traditional Name: 2-morpholino-5-[3-(2-thienyl)propanoylamino]benzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c21-17(6-4-14-2-1-11-25-14)19-13-3-5-16(15(12-13)18(22)23)20-7-9-24-10-8-20/h1-3,5,11-12H,4,6-10H2,(H,19,21)(H,22,23)