ethyl 4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C16H22N4O4S/c1-3-23-15(21)13-12(11(9-17)14(18)25-13)10-19-5-7-20(8-6-19)16(22)24-4-2/h3-8,10,18H2,1-2H3