[8-chloranyl-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [8-chloranyl-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-4-keto-2-(4-methoxyphenyl)-5-[5-[4-(2-methoxyphenyl)piperazino]pentyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C34H40ClN3O5S MolecularWeight: 638.2165

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=C(C=C5)OC

InChI

InChI=1S/C34H40ClN3O5S/c1-24(39)43-32-33(25-11-14-27(41-2)15-12-25)44-31-23-26(35)13-16-29(31)38(34(32)40)18-8-4-7-17-36-19-21-37(22-20-36)28-9-5-6-10-30(28)42-3/h5-6,9-16,23,32-33H,4,7-8,17-22H2,1-3H3