methyl 7-methoxy-3-oxidanyl-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 7-methoxy-3-oxidanyl-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-4-[2-keto-2-(4-phenylpiperazino)ethyl]-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)(CC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

InChI

InChI=1S/C24H28N2O6S/c1-30-18-8-9-19-20(14-18)33-24(23(29)31-2,21(27)16-32-19)15-22(28)26-12-10-25(11-13-26)17-6-4-3-5-7-17/h3-9,14,21,27H,10-13,15-16H2,1-2H3