(1-azanyl-1-oxidanylidene-propan-2-yl) 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC=CO2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C17H18N2O5S/c1-11(16(18)21)24-17(22)13-6-2-3-7-14(13)25-10-15(20)19-9-12-5-4-8-23-12/h2-8,11H,9-10H2,1H3,(H2,18,21)(H,19,20)