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

Systemtic Name: ethyl 4-[[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H25N3O3S2/c1-5-25-15(23)7-6-12-26-18-22-21-17(27-18)20-16(24)13-8-10-14(11-9-13)19(2,3)4/h8-11H,5-7,12H2,1-4H3,(H,20,21,24)