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

Systemtic Name: methyl 3-[(pyridin-3-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(pyridine-3-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[oxo(3-pyridinyl)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(pyridine-3-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-(nicotinamidomethyl)-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=CN=CC=C3

Isomeric SMILES

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

InChI

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