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

Systemtic Name: ethyl 7-methoxy-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: ethyl 3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-7-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-7-methoxy-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid ethyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(COC2=C(S1)C=C(C=C2)OC)O)CCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(C(COC2=C(S1)C=C(C=C2)OC)O)CCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2O5S/c1-3-32-25(30)26(24(29)19-33-22-11-10-21(31-2)18-23(22)34-26)12-7-13-27-14-16-28(17-15-27)20-8-5-4-6-9-20/h4-6,8-11,18,24,29H,3,7,12-17,19H2,1-2H3