2-(4-chlorophenyl)-3-(hydroxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-chlorophenyl)-3-(hydroxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-(4-chlorophenyl)-3-(hydroxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-(4-chlorophenyl)-3-(hydroxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-chlorophenyl)-3-(hydroxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-(4-chlorophenyl)-3-methylol-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H14ClNO2S MolecularWeight: 319.80586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)Cl)CO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C16H14ClNO2S/c17-11-7-5-10(6-8-11)15-12(9-19)16(20)18-13-3-1-2-4-14(13)21-15/h1-8,12,15,19H,9H2,(H,18,20)