[5-(2-dimethylaminoethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxy-phenyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxyphenyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxyphenyl)-4-oxo-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-2-(3-fluoro-4-methoxy-phenyl)-4-keto-8-phenoxy-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H29FN2O5S MolecularWeight: 524.603663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)OC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(=O)OC1C(SC2=C(C=CC(=C2)OC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C28H29FN2O5S/c1-18(32)35-26-27(19-10-13-24(34-4)22(29)16-19)37-25-17-21(36-20-8-6-5-7-9-20)11-12-23(25)31(28(26)33)15-14-30(2)3/h5-13,16-17,26-27H,14-15H2,1-4H3