ethyl 5-azanyl-4-cyano-3-[(1-phenylcyclopentyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-phenylcyclopentyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-phenylcyclopentanecarbonyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-(1-phenylcyclopentyl)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-phenylcyclopentanecarbonyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(1-phenylcyclopentanecarbonyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-26-19(24)17-16(15(12-22)18(23)28-17)13-27-20(25)21(10-6-7-11-21)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11,13,23H2,1H3