3-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[2,2-dimethyl-6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[2,2-dimethyl-6-(2-methyl-4-thiazolyl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[2,2-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[3-keto-2,2-dimethyl-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]propionic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC3=C(C=C2)OC(C(=O)N3CCC(=O)O)(C)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC3=C(C=C2)OC(C(=O)N3CCC(=O)O)(C)C

InChI

InChI=1S/C17H18N2O4S/c1-10-18-12(9-24-10)11-4-5-14-13(8-11)19(7-6-15(20)21)16(22)17(2,3)23-14/h4-5,8-9H,6-7H2,1-3H3,(H,20,21)