[2-[[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[[3-cyano-7,7-dimethyl-5-[(E)-2-(2-pyridyl)vinyl]-6H-benzothiophen-2-yl]amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[3-cyano-7,7-dimethyl-5-[(E)-2-(2-pyridinyl)ethenyl]-6H-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-7,7-dimethyl-5-[(E)-2-pyridin-2-ylethenyl]-6H-1-benzothiophen-2-yl]amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[[3-cyano-7,7-dimethyl-5-[(E)-2-(2-pyridyl)vinyl]-6H-benzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)C(CC(=C3)C=CC4=CC=CC=N4)(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)C(CC(=C3)/C=C/C4=CC=CC=N4)(C)C)C#N

InChI

InChI=1S/C29H27N3O3S/c1-4-19-8-11-21(12-9-19)28(34)35-18-25(33)32-27-24(17-30)23-15-20(16-29(2,3)26(23)36-27)10-13-22-7-5-6-14-31-22/h5-15H,4,16,18H2,1-3H3,(H,32,33)/b13-10+