ethyl 2-azanyl-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate

Systemtic Name: ethyl 2-azanyl-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate Openeye Name: ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate CAS Name: 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate Traditional Name: 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylic acid ethyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C#N

Isomeric SMILES

CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C#N

InChI

InChI=1S/C13H16N2O2S/c1-2-17-13(16)8-5-3-4-6-10-11(8)9(7-14)12(15)18-10/h8H,2-6,15H2,1H3