4-(2-propan-2-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(2-propan-2-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(2-isopropylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[1-oxo-2-(propan-2-ylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(2-propan-2-ylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(isopropylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)SCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H17NO4S/c1-9(2)20-8-13(16)15-7-12(14(17)18)19-11-6-4-3-5-10(11)15/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)