methyl 3-[[(3-chlorophenyl)carbonylamino]methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[(3-chlorophenyl)carbonylamino]methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(3-chlorobenzoyl)amino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[(3-chlorophenyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-chlorobenzoyl)amino]methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[[(3-chlorobenzoyl)amino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O4S/c1-29-22(28)17-7-15(12-24-21(27)16-3-2-4-18(23)10-16)8-19(11-17)25-20(26)9-14-5-6-30-13-14/h2-8,10-11,13H,9,12H2,1H3,(H,24,27)(H,25,26)