ethyl 5-methyl-2-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)-phenethyl-amino]thiazole-4-carboxylate CAS Name: 5-methyl-2-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methyl]-phenethylamino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)-phenethylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4=O)C

InChI

InChI=1S/C25H30N2O4S/c1-3-31-24(30)21-16(2)32-25(26-21)27(13-12-17-8-5-4-6-9-17)23(29)20-14-18-10-7-11-19(15-20)22(18)28/h4-6,8-9,18-20H,3,7,10-15H2,1-2H3