[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClNO3S/c23-19-9-11-20(12-10-19)28-16-17-5-7-18(8-6-17)22(26)27-15-21(25)24-13-3-1-2-4-14-24/h5-12H,1-4,13-16H2