6-methyl-3-[2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-one

Systemtic Name: 6-methyl-3-[2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-one Openeye Name: 6-methyl-3-[2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-one CAS Name: 6-methyl-3-[2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-pyranone IUPAC Name: 6-methyl-3-[2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-one Traditional Name: 6-methyl-3-[2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-one Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(OC4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(OC4=O)C

InChI

InChI=1S/C22H19NO2S/c1-14-7-10-16(11-8-14)21-13-19(17-12-9-15(2)25-22(17)24)23-18-5-3-4-6-20(18)26-21/h3-12,21H,13H2,1-2H3