methyl 3-oxidanylidene-7-phenylmethoxy-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 3-oxidanylidene-7-phenylmethoxy-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 7-benzyloxy-3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-oxo-7-phenylmethoxy-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-7-phenylmethoxy-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-benzoxy-3-keto-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)COC2=C(S1)C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(=O)COC2=C(S1)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16O5S/c1-21-18(20)17-14(19)11-23-15-8-7-13(9-16(15)24-17)22-10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3