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

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate dihydrochloride Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate dihydrochloride CAS Name: 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenyl-1-piperazinyl)propyl ester dihydrochloride IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate dihydrochloride Traditional Name: 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperazino)propyl ester dihydrochloride Formula: C25H34Cl2N2O5S MolecularWeight: 545.51886

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)O.Cl.Cl

InChI

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