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

Systemtic Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(3-butyramidophenyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-8-21(26)24-18-9-7-10-19(15-18)30-20(5-2)22(27)25-17-13-11-16(12-14-17)23(28)29-6-3/h7,9-15,20H,4-6,8H2,1-3H3,(H,24,26)(H,25,27)