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

Systemtic Name: methyl 4-[2-[4,6-dimethyl-3-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4,6-dimethyl-3-(o-tolylcarbamoyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4,6-dimethyl-3-[(2-methylanilino)-oxomethyl]-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4,6-dimethyl-3-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4,6-dimethyl-3-(o-tolylcarbamoyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H25N3O4S/c1-15-7-5-6-8-20(15)28-23(30)22-16(2)13-17(3)26-24(22)33-14-21(29)27-19-11-9-18(10-12-19)25(31)32-4/h5-13H,14H2,1-4H3,(H,27,29)(H,28,30)