methyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-4-carboxylate Openeye Name: methyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzothiepine-4-carboxylate CAS Name: 7-bromo-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzothiepine-4-carboxylate Traditional Name: 7-bromo-5-keto-3,4-dihydro-2H-1-benzothiepin-4-carboxylic acid methyl ester Formula: C12H11BrO3S MolecularWeight: 315.18294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCSC2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

COC(=O)C1CCSC2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C12H11BrO3S/c1-16-12(15)8-4-5-17-10-3-2-7(13)6-9(10)11(8)14/h2-3,6,8H,4-5H2,1H3