O-(4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbothioate

Systemtic Name: O-(4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbothioate Openeye Name: O-(4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbothioate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbothioic acid O-(4-cyanophenyl) ester IUPAC Name: O-(4-cyanophenyl) 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbothioate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)thiobenzoic acid O-(4-cyanophenyl) ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C2=CC=C(C=C2)C(=S)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1COC(OC1)C2=CC=C(C=C2)C(=S)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23NO3S/c1-2-3-4-17-14-24-21(25-15-17)18-7-9-19(10-8-18)22(27)26-20-11-5-16(13-23)6-12-20/h5-12,17,21H,2-4,14-15H2,1H3