6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: 6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: 6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: 6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: 6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: 6-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C19H16INOS MolecularWeight: 433.30591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(SC3=CC=CC=C3N2)C4=CC=C(C=C4)I)C(=O)C1

Isomeric SMILES

C1CC2=C(C(SC3=CC=CC=C3N2)C4=CC=C(C=C4)I)C(=O)C1

InChI

InChI=1S/C19H16INOS/c20-13-10-8-12(9-11-13)19-18-15(5-3-6-16(18)22)21-14-4-1-2-7-17(14)23-19/h1-2,4,7-11,19,21H,3,5-6H2