[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C23H25N3O4S/c1-15(21(28)26-23(2,3)4)30-22(29)18-10-5-6-11-19(18)31-14-20(27)25-17-9-7-8-16(12-17)13-24/h5-12,15H,14H2,1-4H3,(H,25,27)(H,26,28)