ethyl 5-azanyl-3-[(2-chloranyl-4-cyano-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(2-chloranyl-4-cyano-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-chloro-4-cyano-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(2-chloro-4-cyanophenoxy)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-chloro-4-cyanophenoxy)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(2-chloro-4-cyano-phenoxy)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H12ClN3O3S/c1-2-22-16(21)14-11(10(7-19)15(20)24-14)8-23-13-4-3-9(6-18)5-12(13)17/h3-5H,2,8,20H2,1H3