2-[[2-[(2-carboxyphenyl)carbamoyl]-3-thiophen-2-yl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-thiophen-2-yl-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(2-thienyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[2-[(2-carboxyanilino)-oxomethyl]-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(2-thienyl)acryloyl]amino]benzoic acid Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H16N2O6S/c25-19(23-17-9-3-1-7-14(17)21(27)28)16(12-13-6-5-11-31-13)20(26)24-18-10-4-2-8-15(18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)