[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C23H24N2O5S/c1-28-16-9-10-19(29-2)15(12-16)8-11-22(27)30-14-21(26)25-23-18(13-24)17-6-4-3-5-7-20(17)31-23/h8-12H,3-7,14H2,1-2H3,(H,25,26)/b11-8+