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

Systemtic Name: methyl 7-bromanyl-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-bromo-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-bromo-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester Formula: C12H11BrO2S MolecularWeight: 299.18354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrO2S/c1-15-12(14)8-4-5-16-11-3-2-10(13)7-9(11)6-8/h2-3,6-7H,4-5H2,1H3