5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-3-[(5-methyl-1,2-oxazol-4-yl)carbonylamino]-1-benzofuran-2-carboxylate

Systemtic Name: 5-[(E)-4-(diethylamino)-4-oxidanylidene-but-2-en-2-yl]-3-[(5-methyl-1,2-oxazol-4-yl)carbonylamino]-1-benzofuran-2-carboxylate Openeye Name: 5-[(E)-3-(diethylamino)-1-methyl-3-oxo-prop-1-enyl]-3-[(5-methylisoxazole-4-carbonyl)amino]benzofuran-2-carboxylate CAS Name: 5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-3-[[(5-methyl-4-isoxazolyl)-oxomethyl]amino]-2-benzofurancarboxylate IUPAC Name: 5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[(E)-3-(diethylamino)-3-keto-1-methyl-prop-1-enyl]-3-[(5-methylisoxazole-4-carbonyl)amino]coumarilate Formula: C22H22N3O6- MolecularWeight: 424.42658

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=CC2=C(C=C1)OC(=C2NC(=O)C3=C(ON=C3)C)C(=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=CC2=C(C=C1)OC(=C2NC(=O)C3=C(ON=C3)C)C(=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-5-25(6-2)18(26)9-12(3)14-7-8-17-15(10-14)19(20(30-17)22(28)29)24-21(27)16-11-23-31-13(16)4/h7-11H,5-6H2,1-4H3,(H,24,27)(H,28,29)/p-1/b12-9+