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

Systemtic Name: [3-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [3-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S2/c1-12-7-9-17(10-8-12)29(25,26)27-16-6-4-5-15(11-16)18-22(14(3)24)21-19(28-18)20-13(2)23/h4-11,18H,1-3H3,(H,20,21,23)