ethyl 5-azanyl-4-cyano-3-[2-[methyl(pyrimidin-2-yl)amino]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[methyl(pyrimidin-2-yl)amino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[methyl(2-pyrimidinyl)amino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[methyl(2-pyrimidyl)amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN(C)C2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN(C)C2=NC=CC=N2

InChI

InChI=1S/C16H17N5O4S/c1-3-24-15(23)13-11(10(7-17)14(18)26-13)9-25-12(22)8-21(2)16-19-5-4-6-20-16/h4-6H,3,8-9,18H2,1-2H3