[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H15ClN2O8S2 MolecularWeight: 462.8819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN2O8S2/c1-26-13-3-2-10(8-11(13)19(22)23)29(24,25)18-7-6-16(21)27-9-12(20)14-4-5-15(17)28-14/h2-5,8,18H,6-7,9H2,1H3