[2-[ethanoyl-(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[ethanoyl-(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(N-acetyl-2-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(N-acetyl-2-methoxy-anilino)thiazol-4-yl]methyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CSC(=N4)N(C5=CC=CC=C5OC)C(=O)C

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CSC(=N4)N(C5=CC=CC=C5OC)C(=O)C

InChI

InChI=1S/C26H31N3O5S/c1-16(30)28-26-11-18-8-19(12-26)10-25(9-18,15-26)23(32)34-13-20-14-35-24(27-20)29(17(2)31)21-6-4-5-7-22(21)33-3/h4-7,14,18-19H,8-13,15H2,1-3H3,(H,28,30)