2-[[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]-methyl-amino]benzoic acid

Systemtic Name: 2-[[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]-methyl-amino]benzoic acid Openeye Name: 2-[[(5Z)-5-(2H-chromen-3-ylmethylene)-4-oxo-thiazol-2-yl]-methyl-amino]benzoic acid CAS Name: 2-[[(5Z)-5-(2H-1-benzopyran-3-ylmethylidene)-4-oxo-2-thiazolyl]-methylamino]benzoic acid IUPAC Name: 2-[[(5Z)-5-(2H-chromen-3-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]-methylamino]benzoic acid Traditional Name: 2-[[(5Z)-5-(2H-chromen-3-ylmethylene)-4-keto-2-thiazolin-2-yl]-methyl-amino]benzoic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C2=NC(=O)C(=CC3=CC4=CC=CC=C4OC3)S2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C2=NC(=O)/C(=C/C3=CC4=CC=CC=C4OC3)/S2

InChI

InChI=1S/C21H16N2O4S/c1-23(16-8-4-3-7-15(16)20(25)26)21-22-19(24)18(28-21)11-13-10-14-6-2-5-9-17(14)27-12-13/h2-11H,12H2,1H3,(H,25,26)/b18-11-