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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C15H13ClN2O7S3 MolecularWeight: 464.92092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O7S3/c1-26-12-3-2-9(6-10(12)18(21)22)28(23,24)17-7-15(20)25-8-11(19)13-4-5-14(16)27-13/h2-6,17H,7-8H2,1H3