(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)/C(=C/C3=CC=C(C=C3)F)/C4=CC=CS4

InChI

InChI=1S/C21H14FN3O3S/c22-15-9-7-14(8-10-15)12-17(19-6-3-11-29-19)21(27)28-13-25-20(26)16-4-1-2-5-18(16)23-24-25/h1-12H,13H2/b17-12+