ethyl 5-(1-adamantylcarbonylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylamino)-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylamino)-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C27H29N3O5S/c1-3-35-25(32)22-20-14-36-23(21(20)24(31)30(29-22)18-4-6-19(34-2)7-5-18)28-26(33)27-11-15-8-16(12-27)10-17(9-15)13-27/h4-7,14-17H,3,8-13H2,1-2H3,(H,28,33)