ethyl 2-[(2E)-5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2E)-5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2E)-5-methyl-2-(p-tolylsulfonylimino)-1,3,4-thiadiazol-3-yl]acetate CAS Name: 2-[(2E)-5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2E)-5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]acetate Traditional Name: 2-[(2E)-5-methyl-2-tosylimino-1,3,4-thiadiazol-3-yl]acetic acid ethyl ester Formula: C14H17N3O4S2 MolecularWeight: 355.43248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NS(=O)(=O)C2=CC=C(C=C2)C)SC(=N1)C

Isomeric SMILES

CCOC(=O)CN1/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/SC(=N1)C

InChI

InChI=1S/C14H17N3O4S2/c1-4-21-13(18)9-17-14(22-11(3)15-17)16-23(19,20)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3/b16-14+