3-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid

Systemtic Name: 3-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[6-ethyl-7-hydroxy-4-keto-3-(4-methylthiazol-2-yl)chromen-2-yl]propionic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=NC(=CS3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=NC(=CS3)C)O

InChI

InChI=1S/C18H17NO5S/c1-3-10-6-11-14(7-12(10)20)24-13(4-5-15(21)22)16(17(11)23)18-19-9(2)8-25-18/h6-8,20H,3-5H2,1-2H3,(H,21,22)