3-bromanyl-5-(2-dimethylaminoethyl)-1,1-bis(oxidanylidene)-2-phenyl-1$l^{6},5-benzothiazepin-4-one

Systemtic Name: 3-bromanyl-5-(2-dimethylaminoethyl)-1,1-bis(oxidanylidene)-2-phenyl-1$l^{6},5-benzothiazepin-4-one Openeye Name: 3-bromo-5-(2-dimethylaminoethyl)-1,1-dioxo-2-phenyl-1$l^{6},5-benzothiazepin-4-one CAS Name: 3-bromo-5-(2-dimethylaminoethyl)-1,1-dioxo-2-phenyl-1$l^{6},5-benzothiazepin-4-one IUPAC Name: 3-bromo-5-(2-dimethylaminoethyl)-1,1-dioxo-2-phenyl-1$l^{6},5-benzothiazepin-4-one Traditional Name: 3-bromo-5-(2-dimethylaminoethyl)-1,1-diketo-2-phenyl-1$l^{6},5-benzothiazepin-4-one Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2S(=O)(=O)C(=C(C1=O)Br)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2S(=O)(=O)C(=C(C1=O)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O3S/c1-21(2)12-13-22-15-10-6-7-11-16(15)26(24,25)18(17(20)19(22)23)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3