[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(pyridin-4-ylcarbonylamino)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(pyridin-4-ylcarbonylamino)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(pyridine-4-carbonylamino)propanoate CAS Name: 3-[[oxo(pyridin-4-yl)methyl]amino]propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(pyridine-4-carbonylamino)propanoate Traditional Name: 3-isonicotinamidopropionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CN=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H13ClN2O4S/c16-13-2-1-12(23-13)11(19)9-22-14(20)5-8-18-15(21)10-3-6-17-7-4-10/h1-4,6-7H,5,8-9H2,(H,18,21)