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

Systemtic Name: ethyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetate CAS Name: 2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetate Traditional Name: 2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]acetic acid ethyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC=C(C=C1)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)CSC1=CC=C(C=C1)NC(=O)CC(C)(C)C

InChI

InChI=1S/C16H23NO3S/c1-5-20-15(19)11-21-13-8-6-12(7-9-13)17-14(18)10-16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,18)