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

Systemtic Name: 3-(hydroxymethyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-(hydroxymethyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-(hydroxymethyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-(hydroxymethyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-methylol-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)CO

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)CO

InChI

InChI=1S/C17H17NO2S/c1-11-6-8-12(9-7-11)16-13(10-19)17(20)18-14-4-2-3-5-15(14)21-16/h2-9,13,16,19H,10H2,1H3,(H,18,20)