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

Systemtic Name: propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C31H31N3O6S MolecularWeight: 573.65934

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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)OC(C)C)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)OC(C)C)C

InChI

InChI=1S/C31H31N3O6S/c1-6-34(7-2)30(36)27-18(5)26(31(37)40-17(3)4)29(41-27)33-28(35)21-15-23(32-22-11-9-8-10-20(21)22)19-12-13-24-25(14-19)39-16-38-24/h8-15,17H,6-7,16H2,1-5H3,(H,33,35)