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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(2-naphthalen-2-ylsulfanylethanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-naphthylsulfanyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(2-naphthalenylthio)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-naphthalen-2-ylsulfanylacetyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-naphthylthio)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N2O4S2/c1-2-26-21(25)19-17(16(10-22)20(23)29-19)11-27-18(24)12-28-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,2,11-12,23H2,1H3