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

Systemtic Name: 4-[2-(cyanomethylsulfanyl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-[2-(cyanomethylsulfanyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[2-(cyanomethylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-[2-(cyanomethylsulfanyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(cyanomethylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)CSCC#N)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c14-5-6-20-8-12(16)15-7-11(13(17)18)19-10-4-2-1-3-9(10)15/h1-4,11H,6-8H2,(H,17,18)