(2R)-4-(2-tert-butylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2R)-4-(2-tert-butylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2R)-4-(2-tert-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[2-(tert-butylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2R)-4-(2-tert-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[2-(tert-butylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C15H18NO4S- MolecularWeight: 308.37272

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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)N1C[C@@H](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)/p-1/t12-/m1/s1