diethyl 5-azanyl-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[(2Z)-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[(2Z)-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NNC(=C3C=CC=N3)O2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN/C(=C/3\C=CC=N3)/O2)C(=O)OCC)N

InChI

InChI=1S/C17H18N4O5S2/c1-3-24-15(22)11-9(12(28-13(11)18)16(23)25-4-2)8-27-17-21-20-14(26-17)10-6-5-7-19-10/h5-7,20H,3-4,8,18H2,1-2H3/b14-10-