ethyl 5-azanyl-4-cyano-3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-indan-5-ylsulfanylacetyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(indan-5-ylthio)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H20N2O4S2/c1-2-25-20(24)18-16(15(9-21)19(22)28-18)10-26-17(23)11-27-14-7-6-12-4-3-5-13(12)8-14/h6-8H,2-5,10-11,22H2,1H3