[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H16N2O3S/c19-10-4-11-20(16-5-2-1-3-6-16)17(21)13-23-18(22)8-7-15-9-12-24-14-15/h1-3,5-9,12,14H,4,11,13H2/b8-7+