ethyl 5-azanyl-4-cyano-3-[(4-ethanoylpiperazin-1-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-ethanoylpiperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetylpiperazin-1-yl)methyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[(4-acetyl-1-piperazinyl)methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetylpiperazin-1-yl)methyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[(4-acetylpiperazino)methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-3-22-15(21)13-12(11(8-16)14(17)23-13)9-18-4-6-19(7-5-18)10(2)20/h3-7,9,17H2,1-2H3