ethyl 5-azanyl-4-cyano-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSCC2=C(ON=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSCC2=C(ON=C2C)C

InChI

InChI=1S/C17H19N3O5S2/c1-4-23-17(22)15-12(11(5-18)16(19)27-15)6-24-14(21)8-26-7-13-9(2)20-25-10(13)3/h4,6-8,19H2,1-3H3