N-tert-butyl-3-chloranyl-7-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[3-(2-oxochromen-3-yl)benzoyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[3-(2-ketochromen-3-yl)benzoyl]amino]benzothiophene-2-carboxamide Formula: C29H23ClN2O4S MolecularWeight: 531.02192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)Cl

InChI

InChI=1S/C29H23ClN2O4S/c1-29(2,3)32-27(34)25-23(30)19-11-7-12-21(24(19)37-25)31-26(33)18-10-6-9-16(14-18)20-15-17-8-4-5-13-22(17)36-28(20)35/h4-15H,1-3H3,(H,31,33)(H,32,34)