(4-fluorophenyl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (4-fluorophenyl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (4-fluorophenyl)methyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (4-fluorobenzyl) ester Formula: C18H13FN2O4S2 MolecularWeight: 404.435223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13FN2O4S2/c1-11-10-26-18(20-11)27-16-7-4-13(8-15(16)21(23)24)17(22)25-9-12-2-5-14(19)6-3-12/h2-8,10H,9H2,1H3