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

Systemtic Name: tert-butyl 2-[[5-[(3-acetamidophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NN=C(S2)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NN=C(S2)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C16H20N4O3S2/c1-10(21)17-11-6-5-7-12(8-11)18-14-19-20-15(25-14)24-9-13(22)23-16(2,3)4/h5-8H,9H2,1-4H3,(H,17,21)(H,18,19)