[(2S)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [(2S)-1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [(1S)-2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [(2S)-1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [(1S)-2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=NNC(=O)CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C21H21N3O6S/c1-3-29-20(27)14-11-16(13-7-5-4-6-8-13)31-19(14)22-18(26)12(2)30-21(28)15-9-10-17(25)24-23-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,26)(H,24,25)/t12-/m0/s1