methyl 3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-oxo-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C11H10O4S MolecularWeight: 238.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)COC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C1C(=O)COC2=CC=CC=C2S1

InChI

InChI=1S/C11H10O4S/c1-14-11(13)10-7(12)6-15-8-4-2-3-5-9(8)16-10/h2-5,10H,6H2,1H3