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

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 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 3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-7-methoxy-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperazino)propyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H30N2O5S/c1-29-19-8-9-21-22(16-19)32-23(20(27)17-31-21)24(28)30-15-5-10-25-11-13-26(14-12-25)18-6-3-2-4-7-18/h2-4,6-9,16,20,23,27H,5,10-15,17H2,1H3