[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H15N3O7S2 MolecularWeight: 413.4255

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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=CN2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O7S2/c1-26-14-5-4-10(7-12(14)18(21)22)27(23,24)17-8-15(20)25-9-13(19)11-3-2-6-16-11/h2-7,16-17H,8-9H2,1H3