ethyl (2S)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=CS4

InChI

InChI=1S/C23H21N3O3S2/c1-3-29-22(27)20(16-10-5-4-6-11-16)31-23-25-24-21(19-14-9-15-30-19)26(23)17-12-7-8-13-18(17)28-2/h4-15,20H,3H2,1-2H3/t20-/m0/s1