1-[3,3-bis(oxidanylidene)-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl]ethanone

Systemtic Name: 1-[3,3-bis(oxidanylidene)-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl]ethanone Openeye Name: 1-(3,3-dioxo-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl)ethanone CAS Name: 1-(3,3-dioxo-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl)ethanone IUPAC Name: 1-(3,3-dioxo-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl)ethanone Traditional Name: 1-(3,3-diketo-4,5-dihydro-1H-3$l^{6},2-benzothiazepin-2-yl)ethanone Formula: C11H13NO3S MolecularWeight: 239.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CCS1(=O)=O

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CCS1(=O)=O

InChI

InChI=1S/C11H13NO3S/c1-9(13)12-8-11-5-3-2-4-10(11)6-7-16(12,14)15/h2-5H,6-8H2,1H3