[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-methyl-2-[(4-methylphenoxy)methyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(4-methylphenoxy)methyl]-5-thiazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-methylphenoxy)methyl]thiazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-15-8-10-18(11-9-15)27-14-19-23-16(2)20(29-19)22(26)28-17(3)21(25)24-12-6-4-5-7-13-24/h8-11,17H,4-7,12-14H2,1-3H3