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

Systemtic Name: [8-chloranyl-5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-5-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-5-[3-[4-(4-fluorophenyl)piperazino]propyl]-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C31H33ClFN3O4S MolecularWeight: 598.127823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClFN3O4S/c1-21(37)40-29-30(22-4-11-26(39-2)12-5-22)41-28-20-23(32)6-13-27(28)36(31(29)38)15-3-14-34-16-18-35(19-17-34)25-9-7-24(33)8-10-25/h4-13,20,29-30H,3,14-19H2,1-2H3