ethyl 4-[[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-chlorophenyl)sulfinylmethyl]-2-furanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[(4-chlorophenyl)sulfinylmethyl]-2-furoyl]amino]benzoic acid ethyl ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO5S/c1-2-27-21(25)14-3-7-16(8-4-14)23-20(24)19-12-9-17(28-19)13-29(26)18-10-5-15(22)6-11-18/h3-12H,2,13H2,1H3,(H,23,24)