ethyl 5-azanyl-4-cyano-3-[(4-ethylphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-ethylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-ethylbenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-ethylphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-ethylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-ethylbenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C18H18N2O4S/c1-3-11-5-7-12(8-6-11)17(21)24-10-14-13(9-19)16(20)25-15(14)18(22)23-4-2/h5-8H,3-4,10,20H2,1-2H3