[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1S)-2-keto-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C22H27NO4S/c1-6-14(2)17-9-7-8-10-19(17)23-21(24)15(3)27-22(25)18-12-11-16(28-5)13-20(18)26-4/h7-15H,6H2,1-5H3,(H,23,24)/t14-,15-/m0/s1