[5-(2-dimethylaminoethyl)-8-fluoranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate

Systemtic Name: [5-(2-dimethylaminoethyl)-8-fluoranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate Openeye Name: [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(2-dimethylaminoethyl)-8-fluoro-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C27H26FN3O6S MolecularWeight: 539.575243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)F)SC(C(C1=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)F)SC(C(C1=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26FN3O6S/c1-29(2)14-15-30-22-13-8-19(28)16-23(22)38-25(17-6-11-21(36-3)12-7-17)24(26(30)32)37-27(33)18-4-9-20(10-5-18)31(34)35/h4-13,16,24-25H,14-15H2,1-3H3