[4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-chloranyl-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-chloranyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxy-phenyl] ester Formula: C20H20ClN3O6S2 MolecularWeight: 497.9723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C3N(N=C(S3)NC(=O)C)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C3N(N=C(S3)NC(=O)C)C(=O)C)OC

InChI

InChI=1S/C20H20ClN3O6S2/c1-11-5-7-15(8-6-11)32(27,28)30-18-16(21)9-14(10-17(18)29-4)19-24(13(3)26)23-20(31-19)22-12(2)25/h5-10,19H,1-4H3,(H,22,23,25)