methyl 2-[[4-(2-ethylbutanoylamino)phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(2-ethylbutanoylamino)phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2-ethylbutanoylamino)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[(2-ethyl-1-oxobutyl)amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethylbutanoylamino)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(2-ethylbutanoylamino)benzyl]thio]acetic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)CSCC(=O)OC

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)CSCC(=O)OC

InChI

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