[4-(12-acetyloxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] ethanoate

Systemtic Name: [4-(12-acetyloxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] ethanoate Openeye Name: [4-(12-acetoxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] acetate CAS Name: acetic acid [4-(12-acetyloxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] ester IUPAC Name: [4-(12-acetyloxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] acetate Traditional Name: acetic acid [4-(12-acetoxy-11H-indeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=NC5=CC=CC=C5S2)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=NC5=CC=CC=C5S2)OC(=O)C

InChI

InChI=1S/C26H19NO4S/c1-15(28)30-18-13-11-17(12-14-18)26-23-24(27-21-9-5-6-10-22(21)32-26)19-7-3-4-8-20(19)25(23)31-16(2)29/h3-14,26H,1-2H3