N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4R)-8-fluorothiochroman-4-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4R)-8-fluorothiochroman-4-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N[C@@H]3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O3S/c21-15-5-3-4-14-16(8-11-28-19(14)15)22-20(25)13-6-7-17(18(12-13)24(26)27)23-9-1-2-10-23/h3-7,12,16H,1-2,8-11H2,(H,22,25)/t16-/m1/s1