[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C22H27NO4S/c1-13(2)17-9-7-8-14(3)20(17)23-21(24)15(4)27-22(25)18-11-10-16(28-6)12-19(18)26-5/h7-13,15H,1-6H3,(H,23,24)/t15-/m0/s1