(2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CSC(=N5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CSC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C28H29NO2S/c1-19-7-9-23(10-8-19)27-12-20-11-21(13-27)15-28(14-20,18-27)26(30)31-16-24-17-32-25(29-24)22-5-3-2-4-6-22/h2-10,17,20-21H,11-16,18H2,1H3