(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2-thienyl)thiazol-4-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-thiophen-2-yl-4-thiazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2-thienyl)thiazol-4-yl]methyl ester Formula: C16H12N2O6S3 MolecularWeight: 424.47128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6S3/c1-27(22,23)14-5-4-10(7-12(14)18(20)21)16(19)24-8-11-9-26-15(17-11)13-3-2-6-25-13/h2-7,9H,8H2,1H3