methyl 2-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[[1-(acetylsulfanylmethyl)-2-phenyl-ethyl]amino]-4-methyl-pentanoate CAS Name: 2-[[1-(acetylthio)-3-phenylpropan-2-yl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(1-acetylsulfanyl-3-phenylpropan-2-yl)amino]-4-methylpentanoate Traditional Name: 2-[[1-[(acetylthio)methyl]-2-phenyl-ethyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H27NO3S/c1-13(2)10-17(18(21)22-4)19-16(12-23-14(3)20)11-15-8-6-5-7-9-15/h5-9,13,16-17,19H,10-12H2,1-4H3