(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H15N3O3S/c25-20(13-11-16-10-12-19(28-16)15-6-2-1-3-7-15)27-14-24-21(26)17-8-4-5-9-18(17)22-23-24/h1-13H,14H2/b13-11+