(phenylmethyl) 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-nitro-2-thiophenyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-nitro-2-thienyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C15H11N3O4S3 MolecularWeight: 393.46054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S3/c19-13(22-8-10-4-2-1-3-5-10)9-23-15-17-16-14(25-15)11-6-7-12(24-11)18(20)21/h1-7H,8-9H2