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

Systemtic Name: phenacyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: phenacyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid phenacyl ester Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O5S2/c1-12-11-27-19(20-12)28-17-8-7-14(21(24)25)9-15(17)18(23)26-10-16(22)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3