7-chloranyl-N-(4-fluorophenyl)-1-oxidanylidene-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{4}-benzothiepine-4-carboxamide

Systemtic Name: 7-chloranyl-N-(4-fluorophenyl)-1-oxidanylidene-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{4}-benzothiepine-4-carboxamide Openeye Name: 7-chloro-N-(4-fluorophenyl)-1-oxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{4}-benzothiepine-4-carboxamide CAS Name: 7-chloro-N-(4-fluorophenyl)-1-oxo-5-(1-pyrrolidinyl)-2,3-dihydro-1$l^{4}-benzothiepin-4-carboxamide IUPAC Name: 7-chloro-N-(4-fluorophenyl)-1-oxo-5-pyrrolidin-1-yl-2,3-dihydro-1$l^{4}-benzothiepine-4-carboxamide Traditional Name: 7-chloro-N-(4-fluorophenyl)-1-keto-5-pyrrolidino-2,3-dihydro-1$l^{4}-benzothiepin-4-carboxamide Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(CCS(=O)C3=C2C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=C(CCS(=O)C3=C2C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20ClFN2O2S/c22-14-3-8-19-18(13-14)20(25-10-1-2-11-25)17(9-12-28(19)27)21(26)24-16-6-4-15(23)5-7-16/h3-8,13H,1-2,9-12H2,(H,24,26)