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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O5S/c1-14(20(24)23-10-6-4-5-7-11-23)28-21(25)16-13-29-19(22-16)15-8-9-17(26-2)18(12-15)27-3/h8-9,12-14H,4-7,10-11H2,1-3H3