ethyl 3-methyl-7-oxidanylidene-4-phenyl-6-(phenylmethyl)thieno[2,3-d]pyridazine-2-carboxylate

Systemtic Name: ethyl 3-methyl-7-oxidanylidene-4-phenyl-6-(phenylmethyl)thieno[2,3-d]pyridazine-2-carboxylate Openeye Name: ethyl 6-benzyl-3-methyl-7-oxo-4-phenyl-thieno[2,3-d]pyridazine-2-carboxylate CAS Name: 3-methyl-7-oxo-4-phenyl-6-(phenylmethyl)-2-thieno[2,3-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-3-methyl-7-oxo-4-phenylthieno[2,3-d]pyridazine-2-carboxylate Traditional Name: 6-benzyl-7-keto-3-methyl-4-phenyl-thieno[2,3-d]pyridazine-2-carboxylic acid ethyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=O)N(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=O)N(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O3S/c1-3-28-23(27)20-15(2)18-19(17-12-8-5-9-13-17)24-25(22(26)21(18)29-20)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3