[3-ethanoyl-1,1-bis(oxidanylidene)-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl] pentanoate

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl] pentanoate Openeye Name: (3-acetyl-2-isopropyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) pentanoate CAS Name: pentanoic acid (3-acetyl-1,1-dioxo-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-1,1-dioxo-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl) pentanoate Traditional Name: valeric acid (3-acetyl-2-isopropyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C(C)C)C(=O)C

Isomeric SMILES

CCCCC(=O)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C(C)C)C(=O)C

InChI

InChI=1S/C18H23NO5S/c1-5-6-11-16(21)24-18-14-9-7-8-10-15(14)25(22,23)19(12(2)3)17(18)13(4)20/h7-10,12H,5-6,11H2,1-4H3