ethyl 5-azanyl-4-cyano-3-(2-naphthalen-1-ylethanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(2-naphthalen-1-ylethanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(1-naphthyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(1-naphthalenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-naphthalen-1-ylacetyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(1-naphthyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H18N2O4S/c1-2-26-21(25)19-17(16(11-22)20(23)28-19)12-27-18(24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10,12,23H2,1H3