ethyl 2-[5-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)O)NC(=O)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)O)NC(=O)C

InChI

InChI=1S/C17H20N4O5S/c1-4-26-16(25)8-15-19-20-17(21(15)3)27-9-14(24)11-5-6-13(23)12(7-11)18-10(2)22/h5-7,23H,4,8-9H2,1-3H3,(H,18,22)