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

Systemtic Name: ethyl 5-azanyl-3-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H21ClN4O2S2 MolecularWeight: 424.96794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN4O2S2/c1-2-25-18(24)16-14(13(9-20)17(21)27-16)11-23-7-5-22(6-8-23)10-12-3-4-15(19)26-12/h3-4H,2,5-8,10-11,21H2,1H3