ethyl 3-(3-methylbutylamino)-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-(3-methylbutylamino)-4-phenylsulfanyl-butanoate Openeye Name: ethyl 3-(isopentylamino)-4-phenylsulfanyl-butanoate CAS Name: 3-(3-methylbutylamino)-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-(3-methylbutylamino)-4-phenylsulfanylbutanoate Traditional Name: 3-(isoamylamino)-4-(phenylthio)butyric acid ethyl ester Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2S/c1-4-20-17(19)12-15(18-11-10-14(2)3)13-21-16-8-6-5-7-9-16/h5-9,14-15,18H,4,10-13H2,1-3H3