4-bromanylbutyl 7-methoxy-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 4-bromanylbutyl 7-methoxy-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: 4-bromobutyl 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepin-4-carboxylic acid 4-bromobutyl ester IUPAC Name: 4-bromobutyl 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-7-methoxy-2-methyl-1,5-benzoxathiepin-4-carboxylic acid 4-bromobutyl ester Formula: C16H19BrO5S MolecularWeight: 403.28806

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCCBr

Isomeric SMILES

CC1C(=O)C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCCBr

InChI

InChI=1S/C16H19BrO5S/c1-10-14(18)15(16(19)21-8-4-3-7-17)23-13-9-11(20-2)5-6-12(13)22-10/h5-6,9-10,15H,3-4,7-8H2,1-2H3