(3-chlorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-chlorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-chlorophenyl)methyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (3-chlorobenzyl) ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=CC=C2)Cl)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=CC=C2)Cl)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H18ClNO4S/c22-16-6-3-5-15(11-16)13-27-21(25)18-8-1-2-9-19(18)28-14-20(24)23-12-17-7-4-10-26-17/h1-11H,12-14H2,(H,23,24)