ethyl 5-azanyl-4-cyano-3-(3,3-diphenylpropanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(3,3-diphenylpropanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(3,3-diphenylpropanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1-oxo-3,3-diphenylpropoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(3,3-diphenylpropanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(3,3-diphenylpropanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-2-29-24(28)22-20(19(14-25)23(26)31-22)15-30-21(27)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13,15,26H2,1H3