S-methyl 3-(1-adamantyl)-4-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-(1-adamantyl)-4-methyl-benzenecarbothioate Openeye Name: S-methyl 3-(1-adamantyl)-4-methyl-benzenecarbothioate CAS Name: 3-(1-adamantyl)-4-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-(1-adamantyl)-4-methylbenzenecarbothioate Traditional Name: 3-(1-adamantyl)-4-methyl-thiobenzoic acid S-methyl ester Formula: C19H24OS MolecularWeight: 300.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)SC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)SC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24OS/c1-12-3-4-16(18(20)21-2)8-17(12)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,13-15H,5-7,9-11H2,1-2H3