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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-benzoylpiperazin-1-yl)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(4-benzoyl-1-piperazinyl)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-benzoylpiperazin-1-yl)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-benzoylpiperazino)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-2-27-20(26)17-16(15(12-21)18(22)28-17)13-23-8-10-24(11-9-23)19(25)14-6-4-3-5-7-14/h3-7H,2,8-11,13,22H2,1H3