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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H14N4O4S2 MolecularWeight: 450.49026

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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=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H14N4O4S2/c1-13-12-30-21(23-13)31-19-6-5-15(25(27)28)8-16(19)20(26)29-11-14-10-24-7-3-2-4-18(24)17(14)9-22/h2-8,10,12H,11H2,1H3