2-(2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2-isopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2-isopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=S)N(C2=CC=CC=C2O1)CC(=O)O

Isomeric SMILES

CC(C)C1C(=S)N(C2=CC=CC=C2O1)CC(=O)O

InChI

InChI=1S/C13H15NO3S/c1-8(2)12-13(18)14(7-11(15)16)9-5-3-4-6-10(9)17-12/h3-6,8,12H,7H2,1-2H3,(H,15,16)