(2-chloranyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate

Systemtic Name: (2-chloranyl-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate Openeye Name: (2-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate CAS Name: propanoic acid (2-chloro-6-phenyl-7-pyrrolo[2,1-d][1,5]benzothiazepinyl) ester IUPAC Name: (2-chloro-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) propanoate Traditional Name: propionic acid (2-chloro-6-phenyl-pyrrolo[2,1-d][1,5]benzothiazepin-7-yl) ester Formula: C21H16ClNO2S MolecularWeight: 381.87524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClNO2S/c1-2-19(24)25-20-16-9-6-12-23(16)17-13-15(22)10-11-18(17)26-21(20)14-7-4-3-5-8-14/h3-13H,2H2,1H3