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

Systemtic Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] propanoate Openeye Name: [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C22H19NO3S MolecularWeight: 377.45616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3S/c1-3-20(24)26-21-18-8-6-14-23(18)17-7-4-5-9-19(17)27-22(21)15-10-12-16(25-2)13-11-15/h4-14H,3H2,1-2H3