methyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OC)COC2=CC=CC(=C2)OC

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OC)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C16H21N3O4S/c1-5-19-14(10-23-13-8-6-7-12(9-13)21-3)17-18-16(19)24-11(2)15(20)22-4/h6-9,11H,5,10H2,1-4H3