tert-butyl 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: tert-butyl 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(benzamidomethyl)-1,3,4-thiadiazol-2-yl]acetic acid tert-butyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=NN=C(S1)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC1=NN=C(S1)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3S/c1-16(2,3)22-14(20)9-12-18-19-13(23-12)10-17-15(21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,21)