[4-[[2-[(2-acetamidopyridin-4-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]-2,6-dimethyl-phenyl] ethanoate

Systemtic Name: [4-[[2-[(2-acetamidopyridin-4-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]-2,6-dimethyl-phenyl] ethanoate Openeye Name: [4-[[2-[(2-acetamido-4-pyridyl)methylsulfanyl]pyridine-3-carbonyl]amino]-2,6-dimethyl-phenyl] acetate CAS Name: acetic acid [4-[[[2-[(2-acetamido-4-pyridinyl)methylthio]-3-pyridinyl]-oxomethyl]amino]-2,6-dimethylphenyl] ester IUPAC Name: [4-[[2-[(2-acetamidopyridin-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]-2,6-dimethylphenyl] acetate Traditional Name: acetic acid [4-[[2-[(2-acetamido-4-pyridyl)methylthio]nicotinoyl]amino]-2,6-dimethyl-phenyl] ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C

InChI

InChI=1S/C24H24N4O4S/c1-14-10-19(11-15(2)22(14)32-17(4)30)28-23(31)20-6-5-8-26-24(20)33-13-18-7-9-25-21(12-18)27-16(3)29/h5-12H,13H2,1-4H3,(H,28,31)(H,25,27,29)