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

Systemtic Name: [5-(2-dimethylaminoethyl)-8-fluoranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-butylcarbamate Openeye Name: [5-(2-dimethylaminoethyl)-8-fluoro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-butylcarbamate CAS Name: N-butylcarbamic 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] N-butylcarbamate Traditional Name: N-butylcarbamic acid [5-(2-dimethylaminoethyl)-8-fluoro-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H32FN3O4S MolecularWeight: 489.602683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN3O4S/c1-5-6-13-27-25(31)33-22-23(17-7-10-19(32-4)11-8-17)34-21-16-18(26)9-12-20(21)29(24(22)30)15-14-28(2)3/h7-12,16,22-23H,5-6,13-15H2,1-4H3,(H,27,31)