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

Systemtic Name: [8-chloranyl-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-5-phosphonooxy-3H-1,2-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-5-phosphonooxy-3H-1,2-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-4-oxo-5-phosphonooxy-3H-1,2-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-5-phosphonooxy-3H-1,2-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-4-keto-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)piperazino]propyl]-5-phosphonooxy-3H-1,2-benzothiazepin-3-yl] ester Formula: C32H37ClN3O9PS MolecularWeight: 706.142641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)C(C2=C(C=C(C=C2)Cl)SN1C3=CC=C(C=C3)OC)(CCCN4CCN(CC4)C5=CC=CC=C5OC)OP(=O)(O)O

Isomeric SMILES

CC(=O)OC1C(=O)C(C2=C(C=C(C=C2)Cl)SN1C3=CC=C(C=C3)OC)(CCCN4CCN(CC4)C5=CC=CC=C5OC)OP(=O)(O)O

InChI

InChI=1S/C32H37ClN3O9PS/c1-22(37)44-31-30(38)32(45-46(39,40)41,15-6-16-34-17-19-35(20-18-34)27-7-4-5-8-28(27)43-3)26-14-9-23(33)21-29(26)47-36(31)24-10-12-25(42-2)13-11-24/h4-5,7-14,21,31H,6,15-20H2,1-3H3,(H2,39,40,41)