2-[5-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-2-yl]benzoic acid

Systemtic Name: 2-[5-[(E)-2-benzamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-2-benzamido-3-hydroxy-3-oxo-prop-1-enyl]-2-thienyl]benzoic acid CAS Name: 2-[5-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]-2-thiophenyl]benzoic acid IUPAC Name: 2-[5-[(E)-2-benzamido-3-hydroxy-3-oxoprop-1-enyl]thiophen-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-2-benzamido-3-hydroxy-3-keto-prop-1-enyl]-2-thienyl]benzoic acid Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(S2)C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(S2)C3=CC=CC=C3C(=O)O)/C(=O)O

InChI

InChI=1S/C21H15NO5S/c23-19(13-6-2-1-3-7-13)22-17(21(26)27)12-14-10-11-18(28-14)15-8-4-5-9-16(15)20(24)25/h1-12H,(H,22,23)(H,24,25)(H,26,27)/b17-12+