S-phenyl 3-(1-adamantyl)-4-methoxy-benzenecarbothioate

Systemtic Name: S-phenyl 3-(1-adamantyl)-4-methoxy-benzenecarbothioate Openeye Name: S-phenyl 3-(1-adamantyl)-4-methoxy-benzenecarbothioate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3-(1-adamantyl)-4-methoxybenzenecarbothioate Traditional Name: 3-(1-adamantyl)-4-methoxy-thiobenzoic acid S-phenyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H26O2S/c1-26-22-8-7-19(23(25)27-20-5-3-2-4-6-20)12-21(22)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18H,9-11,13-15H2,1H3