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

Systemtic Name: [5-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-8-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-8-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]propyl]-8-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-8-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-[3-[4-[bis(4-fluorophenyl)methyl]piperazino]propyl]-8-chloro-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C38H38ClF2N3O4S MolecularWeight: 706.240826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C6=CC=C(C=C6)OC

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C6=CC=C(C=C6)OC

InChI

InChI=1S/C38H38ClF2N3O4S/c1-25(45)48-36-37(28-8-15-32(47-2)16-9-28)49-34-24-29(39)10-17-33(34)44(38(36)46)19-3-18-42-20-22-43(23-21-42)35(26-4-11-30(40)12-5-26)27-6-13-31(41)14-7-27/h4-17,24,35-37H,3,18-23H2,1-2H3