2-bromanyl-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone

Systemtic Name: 2-bromanyl-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone Openeye Name: 2-bromo-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone CAS Name: 2-bromo-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone IUPAC Name: 2-bromo-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone Traditional Name: 2-bromo-1-[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanone Formula: C21H28BrNO2S MolecularWeight: 438.42152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC1CN(CC2=CC=CC=C2S1)C(=O)CBr)C)C

Isomeric SMILES

CC(=CCC/C(=C\COC1CN(CC2=CC=CC=C2S1)C(=O)CBr)/C)C

InChI

InChI=1S/C21H28BrNO2S/c1-16(2)7-6-8-17(3)11-12-25-21-15-23(20(24)13-22)14-18-9-4-5-10-19(18)26-21/h4-5,7,9-11,21H,6,8,12-15H2,1-3H3/b17-11-