(4-methylphenyl)sulfanyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitro-propanoate

Systemtic Name: (4-methylphenyl)sulfanyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitro-propanoate Openeye Name: p-tolylsulfanyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitro-propanoate CAS Name: 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitropropanoic acid [(4-methylphenyl)thio] ester IUPAC Name: (4-methylphenyl)sulfanyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitropropanoate Traditional Name: 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2-nitro-propionic acid (p-tolylthio) ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SOC(=O)C(C)(C2=NCCCS2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SOC(=O)C(C)(C2=NCCCS2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4S2/c1-10-4-6-11(7-5-10)22-20-13(17)14(2,16(18)19)12-15-8-3-9-21-12/h4-7H,3,8-9H2,1-2H3