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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3S/c1-4-17-9-11-18(12-10-17)20-23-15(2)19(28-20)22(26)27-16(3)21(25)24-13-7-5-6-8-14-24/h9-12,16H,4-8,13-14H2,1-3H3