ethyl 5-azanyl-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H14N4O5S2 MolecularWeight: 430.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N4O5S2/c1-2-24-17(23)14-11(10(6-19)15(20)29-14)7-28-18-22-21-16(27-18)9-3-4-12-13(5-9)26-8-25-12/h3-5H,2,7-8,20H2,1H3