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

Systemtic Name: ethyl 2-[[5-[(4-propan-2-yloxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-[(4-isopropoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-propan-2-yloxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(4-isopropoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]propionic acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-5-23-15(22)11(4)25-17-20-19-16(26-17)18-14(21)12-6-8-13(9-7-12)24-10(2)3/h6-11H,5H2,1-4H3,(H,18,19,21)