(2-chloranyl-4-cyano-phenyl) 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (2-chloro-4-cyano-phenyl) 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (2-chloro-4-cyano-phenyl) ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)OC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)OC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C16H13ClN2O3S/c17-13-8-11(9-18)3-4-14(13)22-15(20)2-1-6-19-16(21)12-5-7-23-10-12/h3-5,7-8,10H,1-2,6H2,(H,19,21)