methyl 2-[2-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)phenoxy]-2-pyridin-2-yl-ethanoate

Systemtic Name: methyl 2-[2-(5-phenylazanyl-1,3,4-thiadiazol-2-yl)phenoxy]-2-pyridin-2-yl-ethanoate Openeye Name: methyl 2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)phenoxy]-2-(2-pyridyl)acetate CAS Name: 2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)phenoxy]-2-(2-pyridinyl)acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)phenoxy]-2-pyridin-2-ylacetate Traditional Name: 2-[2-(5-anilino-1,3,4-thiadiazol-2-yl)phenoxy]-2-(2-pyridyl)acetic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=N1)OC2=CC=CC=C2C3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=CC=CC=N1)OC2=CC=CC=C2C3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c1-28-21(27)19(17-12-7-8-14-23-17)29-18-13-6-5-11-16(18)20-25-26-22(30-20)24-15-9-3-2-4-10-15/h2-14,19H,1H3,(H,24,26)