4-[2-(2-thiophen-2-ylethanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-thiophen-2-ylethanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[[2-(2-thienyl)acetyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(2-thienyl)acetyl]amino]ethyl]benzoic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CC(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15NO3S/c17-14(10-13-2-1-9-20-13)16-8-7-11-3-5-12(6-4-11)15(18)19/h1-6,9H,7-8,10H2,(H,16,17)(H,18,19)