[1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C22H27N3O6S/c1-4-12-25-17(26)11-10-15(24-25)21(28)31-13(3)19(27)23-20-18(22(29)30-5-2)14-8-6-7-9-16(14)32-20/h10-11,13H,4-9,12H2,1-3H3,(H,23,27)