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

Systemtic Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)13-19(25)23-15-8-7-9-16(12-15)29-14-20(26)24-18-11-6-5-10-17(18)21(27)28-4/h5-12H,13-14H2,1-4H3,(H,23,25)(H,24,26)