ethyl 4-cyano-3-methyl-5-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C#N)C

InChI

InChI=1S/C18H15N5O4S2/c1-3-26-17(25)14-10(2)12(8-19)16(29-14)21-13(24)9-28-18-23-22-15(27-18)11-4-6-20-7-5-11/h4-7H,3,9H2,1-2H3,(H,21,24)