[8-chloranyl-5-[3-[4-(furan-2-ylcarbonyl)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-(furan-2-ylcarbonyl)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-(furan-2-carbonyl)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-[2-furanyl(oxo)methyl]-1-piperazinyl]propyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-[3-[4-(furan-2-carbonyl)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-(2-furoyl)piperazino]propyl]-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H32ClN3O6S MolecularWeight: 598.10958

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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(=O)C4=CC=CO4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCCN3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H32ClN3O6S/c1-20(35)40-27-28(21-6-9-23(38-2)10-7-21)41-26-19-22(31)8-11-24(26)34(30(27)37)13-4-12-32-14-16-33(17-15-32)29(36)25-5-3-18-39-25/h3,5-11,18-19,27-28H,4,12-17H2,1-2H3