ethyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C23H28N2O4S/c1-5-29-22(28)16-9-11-17(12-10-16)24-21(27)15-30-19-8-6-7-18(13-19)25-20(26)14-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,27)(H,25,26)