[2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C25H25NO5S/c1-2-6-18-10-12-19(13-11-18)22(27)16-31-25(29)21-8-3-4-9-23(21)32-17-24(28)26-15-20-7-5-14-30-20/h3-5,7-14H,2,6,15-17H2,1H3,(H,26,28)