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

Systemtic Name: (3-cyanophenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid (3-cyanobenzyl) ester Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4S2/c1-12-11-27-19(21-12)28-17-6-5-15(22(24)25)8-16(17)18(23)26-10-14-4-2-3-13(7-14)9-20/h2-8,11H,10H2,1H3