4-[2-(2-methoxyethylsulfanyl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-[2-(2-methoxyethylsulfanyl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-[2-(2-methoxyethylsulfanyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[2-(2-methoxyethylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-[2-(2-methoxyethylsulfanyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(2-methoxyethylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-19-6-7-21-9-13(16)15-8-12(14(17)18)20-11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,17,18)