[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

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