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

Systemtic Name: [1,1-bis(oxidanylidene)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 4-methylbenzoate Openeye Name: (2-allyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-allyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S/c1-3-12-20-13-17(16-6-4-5-7-18(16)25(20,22)23)24-19(21)15-10-8-14(2)9-11-15/h3-11,13H,1,12H2,2H3