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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-3-(phenylthio)propoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(3-phenylsulfanylpropanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(phenylthio)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4S2/c1-2-23-18(22)16-14(13(10-19)17(20)26-16)11-24-15(21)8-9-25-12-6-4-3-5-7-12/h3-7H,2,8-9,11,20H2,1H3