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

Systemtic Name: methyl 2-[[4-(2-phenylbutanoylamino)phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2-phenylbutanoylamino)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[(1-oxo-2-phenylbutyl)amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-phenylbutanoylamino)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(2-phenylbutanoylamino)benzyl]thio]acetic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-3-18(16-7-5-4-6-8-16)20(23)21-17-11-9-15(10-12-17)13-25-14-19(22)24-2/h4-12,18H,3,13-14H2,1-2H3,(H,21,23)