phenethyl 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: phenethyl 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: phenethyl 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid phenethyl ester Formula: C29H20N2O3S MolecularWeight: 476.5457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=CC=C(O3)/C=C(/C#N)\C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H20N2O3S/c30-19-23(28-31-25-8-4-5-9-27(25)35-28)18-24-14-15-26(34-24)21-10-12-22(13-11-21)29(32)33-17-16-20-6-2-1-3-7-20/h1-15,18H,16-17H2/b23-18-