4-[2-(3-thiophen-2-ylpropanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-thiophen-2-ylpropanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-[3-(2-thienyl)propanoylamino]ethyl]benzoic acid CAS Name: 4-[2-[(1-oxo-3-thiophen-2-ylpropyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(3-thiophen-2-ylpropanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-[3-(2-thienyl)propanoylamino]ethyl]benzoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c18-15(8-7-14-2-1-11-21-14)17-10-9-12-3-5-13(6-4-12)16(19)20/h1-6,11H,7-10H2,(H,17,18)(H,19,20)