1,3-benzoxazol-2-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H20N4O3S2/c23-16(24-10-15-20-13-8-4-5-9-14(13)25-15)11-26-18-22-21-17(27-18)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,21)