3,3-dibutyl-7-fluoranyl-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 3,3-dibutyl-7-fluoranyl-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C24H30FNO3S MolecularWeight: 431.563303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)F)C(=N1)C3=CC=C(C=C3)OC)CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)F)C(=N1)C3=CC=C(C=C3)OC)CCCC

InChI

InChI=1S/C24H30FNO3S/c1-4-6-14-24(15-7-5-2)17-30(27,28)22-13-10-19(25)16-21(22)23(26-24)18-8-11-20(29-3)12-9-18/h8-13,16H,4-7,14-15,17H2,1-3H3