(3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H23ClN2O4S/c1-13(19(26)24-15-9-7-11-23-18(15)22)29-16-10-6-5-8-14(16)20(27)28-12-17(25)21(2,3)4/h5-11,13H,12H2,1-4H3,(H,24,26)