ethyl 5-[[(E)-but-2-enoyl]amino]-3-(3-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[[(E)-but-2-enoyl]amino]-3-(3-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[(E)-but-2-enoyl]amino]-3-(3-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-methoxyphenyl)-4-oxo-5-[[(E)-1-oxobut-2-enyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-but-2-enoyl]amino]-3-(3-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[[(E)-but-2-enoyl]amino]-4-keto-3-(3-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)/C=C/C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H19N3O5S/c1-4-7-15(24)21-18-16-14(11-29-18)17(20(26)28-5-2)22-23(19(16)25)12-8-6-9-13(10-12)27-3/h4,6-11H,5H2,1-3H3,(H,21,24)/b7-4+