4-[(2-thiophen-3-ylethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-thiophen-3-ylethanoylamino)methyl]benzoate Openeye Name: 4-[[[2-(3-thienyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(3-thiophenyl)ethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-thiophen-3-ylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(3-thienyl)acetyl]amino]methyl]benzoate Formula: C14H12NO3S- MolecularWeight: 274.31498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CC2=CSC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CC2=CSC=C2)C(=O)[O-]

InChI

InChI=1S/C14H13NO3S/c16-13(7-11-5-6-19-9-11)15-8-10-1-3-12(4-2-10)14(17)18/h1-6,9H,7-8H2,(H,15,16)(H,17,18)/p-1