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

Systemtic Name: ethyl (2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C17H17N3O3S/c1-3-22-16(21)14(12-8-5-4-6-9-12)24-17-19-18-15(20(17)2)13-10-7-11-23-13/h4-11,14H,3H2,1-2H3/t14-/m0/s1