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

Systemtic Name: ethyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H30N2O4S/c1-6-30-23(29)17-7-9-19(10-8-17)26-22(28)16(2)31-20-13-11-18(12-14-20)25-21(27)15-24(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,25,27)(H,26,28)