(6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate

Systemtic Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate Openeye Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate CAS Name: propanoic acid (6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate Traditional Name: propionic acid (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO2S/c1-2-19(23)24-20-17-12-8-14-22(17)16-11-6-7-13-18(16)25-21(20)15-9-4-3-5-10-15/h3-14H,2H2,1H3