dimethyl 5-azanyl-3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H11Cl2N3O5S MolecularWeight: 392.21454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CN2C(=O)C(=C(C=N2)Cl)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CN2C(=O)C(=C(C=N2)Cl)Cl)C(=O)OC)N

InChI

InChI=1S/C13H11Cl2N3O5S/c1-22-12(20)7-5(9(13(21)23-2)24-10(7)16)4-18-11(19)8(15)6(14)3-17-18/h3H,4,16H2,1-2H3