ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(3-butyramidophenyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O4S/c1-4-7-20(25)23-18-8-6-9-19(14-18)29-15(3)21(26)24-17-12-10-16(11-13-17)22(27)28-5-2/h6,8-15H,4-5,7H2,1-3H3,(H,23,25)(H,24,26)