(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CSC2=NN=C(S2)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CSC2=NN=C(S2)N)C)C(C)(C)C

InChI

InChI=1S/C17H23N3O2S2/c1-10-6-12(17(3,4)5)7-11(2)13(10)8-22-14(21)9-23-16-20-19-15(18)24-16/h6-7H,8-9H2,1-5H3,(H2,18,19)