methyl 4-[[1-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-azetidin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-[6-(4-chlorophenyl)hexyl]-2-oxidanylidene-azetidin-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-[6-(4-chlorophenyl)hexyl]-2-oxo-azetidin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-[6-(4-chlorophenyl)hexyl]-2-oxo-3-azetidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[6-(4-chlorophenyl)hexyl]-2-oxoazetidin-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-[6-(4-chlorophenyl)hexyl]-2-keto-azetidin-3-yl]thio]methyl]benzoic acid methyl ester Formula: C24H28ClNO3S MolecularWeight: 446.00202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2CN(C2=O)CCCCCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2CN(C2=O)CCCCCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClNO3S/c1-29-24(28)20-11-7-19(8-12-20)17-30-22-16-26(23(22)27)15-5-3-2-4-6-18-9-13-21(25)14-10-18/h7-14,22H,2-6,15-17H2,1H3