(2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (E)-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-triazolyl]-2-propenoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyltriazol-4-yl)acrylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=N2)C=CC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H15N3O3S/c22-16(17-7-4-10-25-17)13-24-18(23)9-8-15-12-21(20-19-15)11-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b9-8+