[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl] 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-22(2,3)17-10-11-19(26-4)18(12-17)23-20(24)13-27-21(25)15-28-14-16-8-6-5-7-9-16/h5-12H,13-15H2,1-4H3,(H,23,24)