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

Systemtic Name: 3-[(2R)-6-(2-methyl-1,3-thiazol-4-yl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-2-isopropyl-6-(2-methylthiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6-(2-methyl-4-thiazolyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-2-isopropyl-3-keto-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-4-yl]propionic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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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)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC3=C(C=C2)O[C@@H](C(=O)N3CCC(=O)O)C(C)C

InChI

InChI=1S/C18H20N2O4S/c1-10(2)17-18(23)20(7-6-16(21)22)14-8-12(4-5-15(14)24-17)13-9-25-11(3)19-13/h4-5,8-10,17H,6-7H2,1-3H3,(H,21,22)/t17-/m1/s1