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

Systemtic Name: [2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl] ester IUPAC Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H21N3O6S2/c1-12-5-8-16(9-6-12)31(26,27)29-18-10-7-15(28-4)11-17(18)19-23(14(3)25)22-20(30-19)21-13(2)24/h5-11,19H,1-4H3,(H,21,22,24)