[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] butanoate

Systemtic Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] butanoate Openeye Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] butanoate CAS Name: butanoic acid [6-(4-methoxyphenyl)-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] butanoate Traditional Name: butyric acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3