dimethyl 5-azanyl-3-[(2-chloranyl-4-cyano-phenoxy)methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-chloranyl-4-cyano-phenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-chloro-4-cyano-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-chloro-4-cyanophenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-chloro-4-cyanophenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-chloro-4-cyano-phenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)C#N)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)C#N)Cl)C(=O)OC)N

InChI

InChI=1S/C16H13ClN2O5S/c1-22-15(20)12-9(13(16(21)23-2)25-14(12)19)7-24-11-4-3-8(6-18)5-10(11)17/h3-5H,7,19H2,1-2H3