methyl 2-[[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-16(2,3)11-7-5-10(6-8-11)13(21)17-14-18-19-15(24-14)23-9-12(20)22-4/h5-8H,9H2,1-4H3,(H,17,18,21)