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

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-13(19(27)25-21(29)23-2)30-20(28)16-8-3-4-9-17(16)31-12-18(26)24-15-7-5-6-14(10-15)11-22/h3-10,13H,12H2,1-2H3,(H,24,26)(H2,23,25,27,29)