methyl 4-chloranyl-3-[3-(thiophen-3-ylcarbonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[3-(thiophen-3-ylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-(thiophene-3-carbonylamino)propanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(thiophene-3-carbonylamino)propanoylamino]benzoate Traditional Name: 4-chloro-3-[3-(3-thenoylamino)propanoylamino]benzoic acid methyl ester Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C16H15ClN2O4S/c1-23-16(22)10-2-3-12(17)13(8-10)19-14(20)4-6-18-15(21)11-5-7-24-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,18,21)(H,19,20)