[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O3S/c19-14-7-5-6-13(10-14)17-20-15(12-25-17)18(23)24-11-16(22)21-8-3-1-2-4-9-21/h5-7,10,12H,1-4,8-9,11H2