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

Systemtic Name: 4-(2-tert-butylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(2-tert-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[2-(tert-butylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(2-tert-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(tert-butylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c1-15(2,3)21-9-13(17)16-8-12(14(18)19)20-11-7-5-4-6-10(11)16/h4-7,12H,8-9H2,1-3H3,(H,18,19)