methyl 7-oxidanyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-oxidanyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-hydroxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-hydroxy-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)O)S(=O)(=O)CC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)O)S(=O)(=O)CC1

InChI

InChI=1S/C12H12O5S/c1-17-12(14)8-4-5-18(15,16)11-3-2-10(13)7-9(11)6-8/h2-3,6-7,13H,4-5H2,1H3