N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H17ClFN3O4S MolecularWeight: 461.893783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4)F

InChI

InChI=1S/C21H17ClFN3O4S/c1-11(27)24-13-3-4-14(16(23)9-13)17-10-31-21(25-17)26-20(28)12-7-15(22)19-18(8-12)29-5-2-6-30-19/h3-4,7-10H,2,5-6H2,1H3,(H,24,27)(H,25,26,28)