ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N3O3S/c1-5-11-20-15(13-7-9-14(22-4)10-8-13)18-19-17(20)24-12(3)16(21)23-6-2/h5,7-10,12H,1,6,11H2,2-4H3/t12-/m0/s1