methyl 4-[2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[anilino(oxo)methyl]-4,6-dimethyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4,6-dimethyl-3-(phenylcarbamoyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H23N3O4S/c1-15-13-16(2)25-23(21(15)22(29)27-18-7-5-4-6-8-18)32-14-20(28)26-19-11-9-17(10-12-19)24(30)31-3/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)