methyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetate CAS Name: 2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetate Traditional Name: 2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]acetic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)9-13(17)16-11-5-7-12(8-6-11)20-10-14(18)19-4/h5-8H,9-10H2,1-4H3,(H,16,17)