4-[(E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[4-(1-adamantyl)thiazol-2-yl]-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-[4-(1-adamantyl)-2-thiazolyl]-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-[4-(1-adamantyl)thiazol-2-yl]-2-cyano-vinyl]benzoic acid Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(=CC5=CC=C(C=C5)C(=O)O)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)/C(=C/C5=CC=C(C=C5)C(=O)O)/C#N

InChI

InChI=1S/C23H22N2O2S/c24-12-19(8-14-1-3-18(4-2-14)22(26)27)21-25-20(13-28-21)23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,8,13,15-17H,5-7,9-11H2,(H,26,27)/b19-8+