3-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-2-yl]propanoic acid Openeye Name: 3-[6-ethyl-4-hydroxy-3-(4-methylthiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]propanoic acid CAS Name: 3-[6-ethyl-4-hydroxy-3-(4-methyl-2-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-ethyl-4-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-2-yl]propanoic acid Traditional Name: 3-[6-ethyl-4-hydroxy-7-keto-3-(4-methylthiazol-2-yl)-5,6,8,8a-tetrahydrochromen-2-yl]propionic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)CCC(=O)O)C3=NC(=CS3)C)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)CCC(=O)O)C3=NC(=CS3)C)O

InChI

InChI=1S/C18H21NO5S/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/h8,10,14,23H,3-7H2,1-2H3,(H,21,22)