(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-thienyl)thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-thiophen-2-yl-4-thiazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(2-thienyl)thiazol-4-yl]methyl ester Formula: C17H15N3O6S4 MolecularWeight: 485.5775

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S4/c1-27-14-5-4-12(7-13(14)20(22)23)30(24,25)18-8-16(21)26-9-11-10-29-17(19-11)15-3-2-6-28-15/h2-7,10,18H,8-9H2,1H3