ethyl 5-azanyl-4-cyano-3-[(cyclooctylamino)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(cyclooctylamino)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(cyclooctylamino)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(cyclooctylamino)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(cyclooctylamino)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(cyclooctylamino)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CNC2CCCCCCC2

InChI

InChI=1S/C17H25N3O2S/c1-2-22-17(21)15-14(13(10-18)16(19)23-15)11-20-12-8-6-4-3-5-7-9-12/h12,20H,2-9,11,19H2,1H3