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

Systemtic Name: ethyl 5-azanyl-3-[(2-azanyl-5-chloranyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-amino-5-chloro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(2-amino-5-chlorophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-amino-5-chlorobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(2-amino-5-chloro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S/c1-2-23-16(22)13-11(10(6-18)14(20)25-13)7-24-15(21)9-5-8(17)3-4-12(9)19/h3-5H,2,7,19-20H2,1H3