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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 4-methylbenzoate Openeye Name: (3-acetyl-2-allyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic 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) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-acetyl-2-allyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(N(S(=O)(=O)C3=CC=CC=C32)CC=C)C(=O)C

InChI

InChI=1S/C21H19NO5S/c1-4-13-22-19(15(3)23)20(17-7-5-6-8-18(17)28(22,25)26)27-21(24)16-11-9-14(2)10-12-16/h4-12H,1,13H2,2-3H3