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

Systemtic Name: (4-methoxyphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (4-methoxyphenyl)methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid p-anisyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S2/c1-12-11-27-19(20-12)28-17-8-5-14(21(23)24)9-16(17)18(22)26-10-13-3-6-15(25-2)7-4-13/h3-9,11H,10H2,1-2H3