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

Systemtic Name: ethyl 2-[[5-[(4-propan-2-yloxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-[(4-isopropoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-propan-2-yloxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-[(4-isopropoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C18H23N3O4S2/c1-5-14(16(23)24-6-2)26-18-21-20-17(27-18)19-15(22)12-7-9-13(10-8-12)25-11(3)4/h7-11,14H,5-6H2,1-4H3,(H,19,20,22)