ethyl 2-[[5-[(4-pentylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-pentylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-pentylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(4-pentylphenyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-pentylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-amylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

InChI

InChI=1S/C18H23N3O3S2/c1-3-5-6-7-13-8-10-14(11-9-13)16(23)19-17-20-21-18(26-17)25-12-15(22)24-4-2/h8-11H,3-7,12H2,1-2H3,(H,19,20,23)