(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H14N4O5S2 MolecularWeight: 454.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S2/c1-12-11-30-20(21-12)31-16-8-7-14(9-15(16)24(26)27)19(25)28-10-17-22-18(23-29-17)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3