methyl 3-[(3-methoxyphenyl)carbonylamino]-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 3-[(3-methoxyphenyl)carbonylamino]-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 3-[(3-methoxybenzoyl)amino]-5-[[[2-(2-pyridylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 3-[[(3-methoxyphenyl)-oxomethyl]amino]-5-[[[1-oxo-2-(2-pyridinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxybenzoyl)amino]-5-[[(2-pyridin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 3-(m-anisoylamino)-5-[[[2-(2-pyridylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)CSC3=CC=CC=N3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)CSC3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C24H23N3O5S/c1-31-20-7-5-6-17(13-20)23(29)27-19-11-16(10-18(12-19)24(30)32-2)14-26-21(28)15-33-22-8-3-4-9-25-22/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)