[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-tert-butylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)17-11-9-16(10-12-17)20(24)25-15-19(23)22-13-14-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,22,23)