(3,5-dimethylphenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (3,5-dimethylbenzyl) ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C)C

InChI

InChI=1S/C21H25NO3S/c1-14(2)22-20(23)13-26-19-8-6-5-7-18(19)21(24)25-12-17-10-15(3)9-16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,22,23)