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

Systemtic Name: 7-methoxy-3-oxidanyl-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Openeye Name: 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid CAS Name: 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid IUPAC Name: 3-hydroxy-7-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Traditional Name: 3-hydroxy-4-[2-keto-2-(4-phenylpiperazino)ethyl]-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-30-17-7-8-18-19(13-17)32-23(22(28)29,20(26)15-31-18)14-21(27)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13,20,26H,9-12,14-15H2,1H3,(H,28,29)