tert-butyl 5-azanyl-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: tert-butyl 5-azanyl-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: tert-butyl 5-amino-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid tert-butyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N3O4S/c1-18(2,3)25-17(23)14-12-9-26-15(19)13(12)16(22)21(20-14)10-5-7-11(24-4)8-6-10/h5-9H,19H2,1-4H3