2-chloranyl-5-(2-dimethylaminoethyl)-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 2-chloranyl-5-(2-dimethylaminoethyl)-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 2-chloro-5-(2-dimethylaminoethyl)-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 2-chloro-5-(2-dimethylaminoethyl)-11,11-dioxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 2-chloro-5-(2-dimethylaminoethyl)-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 2-chloro-5-(2-dimethylaminoethyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C17H17ClN2O3S MolecularWeight: 364.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C1=O

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C1=O

InChI

InChI=1S/C17H17ClN2O3S/c1-19(2)9-10-20-14-8-7-12(18)11-16(14)24(22,23)15-6-4-3-5-13(15)17(20)21/h3-8,11H,9-10H2,1-2H3