[2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3N(N=C(S3)NC(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3N(N=C(S3)NC(=O)C)C(=O)C

InChI

InChI=1S/C20H21N3O5S2/c1-12-5-8-16(9-6-12)30(26,27)28-18-10-7-13(2)11-17(18)19-23(15(4)25)22-20(29-19)21-14(3)24/h5-11,19H,1-4H3,(H,21,22,24)