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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] pentanoate Openeye Name: (3-acetyl-2-allyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) pentanoate CAS Name: pentanoic acid (3-acetyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) pentanoate Traditional Name: valeric acid (3-acetyl-2-allyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-4-6-11-16(21)24-18-14-9-7-8-10-15(14)25(22,23)19(12-5-2)17(18)13(3)20/h5,7-10H,2,4,6,11-12H2,1,3H3