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

Systemtic Name: 4-(2-methylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(2-methylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[2-(methylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(2-methylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(methylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-18-7-11(14)13-6-10(12(15)16)17-9-5-3-2-4-8(9)13/h2-5,10H,6-7H2,1H3,(H,15,16)