2-[(E)-2-cyano-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethenyl]benzoic acid

Systemtic Name: 2-[(E)-2-cyano-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethenyl]benzoic acid Openeye Name: 2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]vinyl]benzoic acid CAS Name: 2-[(E)-2-cyano-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]ethenyl]benzoic acid IUPAC Name: 2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]benzoic acid Traditional Name: 2-[(E)-2-cyano-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]vinyl]benzoic acid Formula: C22H12N2O4S MolecularWeight: 400.40668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=CC=C4C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC=CC=C4C(=O)O)/C#N

InChI

InChI=1S/C22H12N2O4S/c23-11-15(9-13-5-1-3-7-16(13)21(25)26)20-24-18(12-29-20)17-10-14-6-2-4-8-19(14)28-22(17)27/h1-10,12H,(H,25,26)/b15-9+