S-[(2-oxidanylidene-4-phenyl-oxolan-3-yl)methyl] 4-butylbenzenecarbothioate

Systemtic Name: S-[(2-oxidanylidene-4-phenyl-oxolan-3-yl)methyl] 4-butylbenzenecarbothioate Openeye Name: S-[(2-oxo-4-phenyl-tetrahydrofuran-3-yl)methyl] 4-butylbenzenecarbothioate CAS Name: 4-butylbenzenecarbothioic acid S-[(2-oxo-4-phenyl-3-oxolanyl)methyl] ester IUPAC Name: S-[(2-oxo-4-phenyloxolan-3-yl)methyl] 4-butylbenzenecarbothioate Traditional Name: 4-butylthiobenzoic acid S-[(2-keto-4-phenyl-tetrahydrofuran-3-yl)methyl] ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)SCC2C(COC2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)SCC2C(COC2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24O3S/c1-2-3-7-16-10-12-18(13-11-16)22(24)26-15-20-19(14-25-21(20)23)17-8-5-4-6-9-17/h4-6,8-13,19-20H,2-3,7,14-15H2,1H3