1,3-benzothiazol-2-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3S2)C4=CC=CO4

InChI

InChI=1S/C18H16N4O3S2/c1-2-22-17(13-7-5-9-24-13)20-21-18(22)26-11-16(23)25-10-15-19-12-6-3-4-8-14(12)27-15/h3-9H,2,10-11H2,1H3