4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(2-thienyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(2-thienyl)acryloyl]amino]methyl]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13NO3S/c17-14(8-7-13-2-1-9-20-13)16-10-11-3-5-12(6-4-11)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)/b8-7+