2-(8-cyclohexyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(8-cyclohexyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(8-cyclohexyl-2-isopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(8-cyclohexyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(8-cyclohexyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(8-cyclohexyl-2-isopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid Formula: C19H25NO3S MolecularWeight: 347.4717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=S)N(C2=CC=CC(=C2O1)C3CCCCC3)CC(=O)O

Isomeric SMILES

CC(C)C1C(=S)N(C2=CC=CC(=C2O1)C3CCCCC3)CC(=O)O

InChI

InChI=1S/C19H25NO3S/c1-12(2)17-19(24)20(11-16(21)22)15-10-6-9-14(18(15)23-17)13-7-4-3-5-8-13/h6,9-10,12-13,17H,3-5,7-8,11H2,1-2H3,(H,21,22)