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

Systemtic Name: ethyl 2-[[5-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-butoxy-3-methoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-butoxy-3-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-butoxy-3-methoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC)OC

InChI

InChI=1S/C18H23N3O5S2/c1-4-6-9-26-13-8-7-12(10-14(13)24-3)16(23)19-17-20-21-18(28-17)27-11-15(22)25-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20,23)