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

Systemtic Name: (3-methylphenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: m-tolylmethyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (3-methylbenzyl) ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21NO4S/c1-16-6-4-7-17(12-16)14-27-22(25)19-9-2-3-10-20(19)28-15-21(24)23-13-18-8-5-11-26-18/h2-12H,13-15H2,1H3,(H,23,24)