butyl 2-[[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C27H21ClN2O3S2 MolecularWeight: 521.05024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H21ClN2O3S2/c1-2-3-14-33-27(32)24-17-9-5-7-11-21(17)35-26(24)30-25(31)18-15-20(22-12-13-23(28)34-22)29-19-10-6-4-8-16(18)19/h4-13,15H,2-3,14H2,1H3,(H,30,31)