methyl 4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-amoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O3S/c1-3-4-5-14-26-19-12-8-16(9-13-19)20-15-22-23(27-20)18-10-6-17(7-11-18)21(24)25-2/h6-13,15,22H,3-5,14H2,1-2H3