dimethyl 5-azanyl-3-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C19H20N4O6S3/c1-4-23-16(11-6-5-7-30-11)21-22-19(23)31-9-12(24)29-8-10-13(17(25)27-2)15(20)32-14(10)18(26)28-3/h5-7H,4,8-9,20H2,1-3H3