ethyl 7-bromanyl-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: ethyl 7-bromanyl-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: ethyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-bromo-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-bromo-2,3-dihydro-1-benzothiepin-4-carboxylic acid ethyl ester Formula: C13H13BrO2S MolecularWeight: 313.21012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)SCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)SCC1

InChI

InChI=1S/C13H13BrO2S/c1-2-16-13(15)9-5-6-17-12-4-3-11(14)8-10(12)7-9/h3-4,7-8H,2,5-6H2,1H3