[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C16H17NO4S/c1-11(15(18)17-10-12-6-5-9-20-12)21-16(19)13-7-3-4-8-14(13)22-2/h3-9,11H,10H2,1-2H3,(H,17,18)