O2-tert-butyl O4-ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C30H28N2O7S MolecularWeight: 560.61752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H28N2O7S/c1-6-36-28(34)24-16(2)25(29(35)39-30(3,4)5)40-27(24)32-26(33)19-14-21(31-20-10-8-7-9-18(19)20)17-11-12-22-23(13-17)38-15-37-22/h7-14H,6,15H2,1-5H3,(H,32,33)