1-[3-ethyl-8-methoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl]butan-2-one

Systemtic Name: 1-[3-ethyl-8-methoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl]butan-2-one Openeye Name: 1-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one CAS Name: 1-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)-2-butanone IUPAC Name: 1-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Traditional Name: 1-(3-ethyl-1,1-diketo-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CC

Isomeric SMILES

CCC(=O)CC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CC

InChI

InChI=1S/C22H27NO4S/c1-4-17(24)14-22(5-2)15-28(25,26)20-13-18(27-3)11-12-19(20)21(23-22)16-9-7-6-8-10-16/h6-13,21,23H,4-5,14-15H2,1-3H3