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

Systemtic Name: ethyl 2-[[5-[(4-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC

InChI

InChI=1S/C17H21N3O3S2/c1-3-5-6-12-7-9-13(10-8-12)15(22)18-16-19-20-17(25-16)24-11-14(21)23-4-2/h7-10H,3-6,11H2,1-2H3,(H,18,19,22)