ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexylidene]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexylidene]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexylidene]-2-cyano-acetate CAS Name: 2-[2-(1,3-benzoxazol-2-ylthio)cyclohexylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexylidene]-2-cyanoacetate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)cyclohexylidene]-2-cyano-acetic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1SC2=NC3=CC=CC=C3O2)C#N

Isomeric SMILES

CCOC(=O)C(=C1CCCCC1SC2=NC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C18H18N2O3S/c1-2-22-17(21)13(11-19)12-7-3-6-10-16(12)24-18-20-14-8-4-5-9-15(14)23-18/h4-5,8-9,16H,2-3,6-7,10H2,1H3