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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H29N3O6S MolecularWeight: 559.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OCC)C

InChI

InChI=1S/C30H29N3O6S/c1-5-33(6-2)29(35)26-17(4)25(30(36)37-7-3)28(40-26)32-27(34)20-15-22(31-21-11-9-8-10-19(20)21)18-12-13-23-24(14-18)39-16-38-23/h8-15H,5-7,16H2,1-4H3,(H,32,34)