diethyl 5-azanyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(O2)C3=CC=CC=C3C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(O2)C3=CC=CC=C3C)C(=O)OCC)N

InChI

InChI=1S/C20H21N3O5S2/c1-4-26-18(24)14-13(15(30-16(14)21)19(25)27-5-2)10-29-20-23-22-17(28-20)12-9-7-6-8-11(12)3/h6-9H,4-5,10,21H2,1-3H3