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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H30N2O5S/c1-17-22(27)23(32-21-16-19(29-2)8-9-20(21)31-17)24(28)30-15-14-25-10-12-26(13-11-25)18-6-4-3-5-7-18/h3-9,16-17,22-23,27H,10-15H2,1-2H3