ethyl 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]carbonylamino]-4-methyl-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(1,3-benzodioxol-5-yl)isoxazole-3-carbonyl]amino]-4-methyl-5-propanoyl-thiophene-3-carboxylate CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]-oxomethyl]amino]-4-methyl-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino]-4-methyl-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)isoxazole-3-carbonyl]amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C

InChI

InChI=1S/C22H20N2O7S/c1-4-14(25)19-11(3)18(22(27)28-5-2)21(32-19)23-20(26)13-9-16(31-24-13)12-6-7-15-17(8-12)30-10-29-15/h6-9H,4-5,10H2,1-3H3,(H,23,26)