[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C13H12ClNO5S3 MolecularWeight: 393.88608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H12ClNO5S3/c14-11-4-3-10(22-11)9(16)8-20-12(17)5-6-15-23(18,19)13-2-1-7-21-13/h1-4,7,15H,5-6,8H2