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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)O

InChI

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