2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[(2S)-2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl]acetate Formula: C16H20NO3S- MolecularWeight: 306.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=S)N(C2=CC=CC(=C2O1)C(C)C)CC(=O)[O-]

Isomeric SMILES

CC(C)[C@H]1C(=S)N(C2=CC=CC(=C2O1)C(C)C)CC(=O)[O-]

InChI

InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)/p-1/t14-/m0/s1