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

Systemtic Name: [1,1-bis(oxidanylidene)-3-(phenylcarbonyl)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (2-allyl-3-benzoyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (2-allyl-3-benzoyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C28H25NO7S MolecularWeight: 519.5656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H25NO7S/c1-4-16-29-26(27(31)20-10-6-5-7-11-20)28(21-12-8-9-13-24(21)37(29,32)33)36-25(30)18-19-14-15-22(34-2)23(17-19)35-3/h4-15,17H,1,16,18H2,2-3H3