methyl 3-[(pyridin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(pyridin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(pyridine-2-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[oxo(2-pyridinyl)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(pyridine-2-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-(picolinamidomethyl)-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H19N3O4S/c1-28-21(27)16-8-15(12-23-20(26)18-4-2-3-6-22-18)9-17(11-16)24-19(25)10-14-5-7-29-13-14/h2-9,11,13H,10,12H2,1H3,(H,23,26)(H,24,25)