3-(4-phenylpiperazin-1-yl)propyl 2-ethyl-7-methoxy-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 2-ethyl-7-methoxy-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 2-ethyl-3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 2-ethyl-3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 2-ethyl-3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 2-ethyl-3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperazino)propyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H34N2O5S/c1-3-21-24(29)25(34-23-18-20(31-2)10-11-22(23)33-21)26(30)32-17-7-12-27-13-15-28(16-14-27)19-8-5-4-6-9-19/h4-6,8-11,18,21,24-25,29H,3,7,12-17H2,1-2H3