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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(phenylcarbonyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(benzoyloxymethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-(benzoyloxymethyl)-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(benzoyloxymethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-(benzoyloxymethyl)-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-2-21-16(20)13-12(11(8-17)14(18)23-13)9-22-15(19)10-6-4-3-5-7-10/h3-7H,2,9,18H2,1H3