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

Systemtic Name: [8-chloranyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-5-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-5-[2-[4-(4-fluorophenyl)piperazino]ethyl]-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H31ClFN3O4S MolecularWeight: 584.101243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN3CCN(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)CCN3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H31ClFN3O4S/c1-20(36)39-28-29(21-3-10-25(38-2)11-4-21)40-27-19-22(31)5-12-26(27)35(30(28)37)18-15-33-13-16-34(17-14-33)24-8-6-23(32)7-9-24/h3-12,19,28-29H,13-18H2,1-2H3