6,8-bis(bromanyl)-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one

Systemtic Name: 6,8-bis(bromanyl)-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Openeye Name: 6,8-dibromo-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one CAS Name: 6,8-dibromo-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Traditional Name: 6,8-dibromo-3-[2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]coumarin Formula: C26H20Br2N2O2S MolecularWeight: 584.3222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC5=CC(=CC(=C5OC4=O)Br)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC5=CC(=CC(=C5OC4=O)Br)Br

InChI

InChI=1S/C26H20Br2N2O2S/c1-30(2)18-9-7-15(8-10-18)24-14-22(29-21-5-3-4-6-23(21)33-24)19-12-16-11-17(27)13-20(28)25(16)32-26(19)31/h3-13,24H,14H2,1-2H3