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

Systemtic Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

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