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

Systemtic Name: methyl (4S)-7-methoxy-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl (4S)-3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: (4S)-3-hydroxy-7-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: (4S)-3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC([C@@](S2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

InChI

InChI=1S/C25H32N2O5S/c1-30-20-9-10-21-22(17-20)33-25(24(29)31-2,23(28)18-32-21)11-6-12-26-13-15-27(16-14-26)19-7-4-3-5-8-19/h3-5,7-10,17,23,28H,6,11-16,18H2,1-2H3/t23?,25-/m0/s1