methyl 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-8-methoxy-3-oxidanyl-4,5-dihydro-3H-1-benzothiepine-2-carboxylate

Systemtic Name: methyl 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-8-methoxy-3-oxidanyl-4,5-dihydro-3H-1-benzothiepine-2-carboxylate Openeye Name: methyl 3-hydroxy-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-8-methoxy-4,5-dihydro-3H-1-benzothiepine-2-carboxylate CAS Name: 3-hydroxy-2-[3-[4-(4-hydroxyphenyl)-1-piperazinyl]propyl]-8-methoxy-4,5-dihydro-3H-1-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-8-methoxy-4,5-dihydro-3H-1-benzothiepine-2-carboxylate Traditional Name: 3-hydroxy-2-[3-[4-(4-hydroxyphenyl)piperazino]propyl]-8-methoxy-4,5-dihydro-3H-1-benzothiepin-2-carboxylic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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