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

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 7-chloranyl-2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 7-chloro-3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-chloro-3-hydroxy-2-methyl-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 7-chloro-3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-chloro-3-hydroxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperazino)propyl ester Formula: C24H29ClN2O4S MolecularWeight: 477.01606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O4S/c1-17-22(28)23(32-21-16-18(25)8-9-20(21)31-17)24(29)30-15-5-10-26-11-13-27(14-12-26)19-6-3-2-4-7-19/h2-4,6-9,16-17,22-23,28H,5,10-15H2,1H3