1-[3-ethyl-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-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl]butan-2-one Openeye Name: 1-(3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one CAS Name: 1-(3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)-2-butanone IUPAC Name: 1-(3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Traditional Name: 1-(3-ethyl-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC

Isomeric SMILES

CCC(=O)CC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H25NO3S/c1-3-17(23)14-21(4-2)15-26(24,25)19-13-9-8-12-18(19)20(22-21)16-10-6-5-7-11-16/h5-13,20,22H,3-4,14-15H2,1-2H3