3-butyl-3-ethyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol

Systemtic Name: 3-butyl-3-ethyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Openeye Name: 3-butyl-3-ethyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol CAS Name: 3-butyl-3-ethyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol IUPAC Name: 3-butyl-3-ethyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Traditional Name: 3-butyl-3-ethyl-1,1-diketo-7-(methylthio)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-ol Formula: C22H29NO3S2 MolecularWeight: 419.60056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)O)SC)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)O)SC)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H29NO3S2/c1-4-6-12-22(5-2)15-23(17-10-8-7-9-11-17)18-13-20(27-3)19(24)14-21(18)28(25,26)16-22/h7-11,13-14,24H,4-6,12,15-16H2,1-3H3