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

Systemtic Name: 3-[(2S)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3-[(2S)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-pyran-4-one CAS Name: 2-hydroxy-3-[(2S)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-pyranone IUPAC Name: 2-hydroxy-3-[(2S)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-[(2S)-2-(2-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-pyran-4-one Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C2=CC(SC3=CC=CC=C3N2)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C2=C[C@H](SC3=CC=CC=C3N2)C4=CC=CC=C4OC

InChI

InChI=1S/C22H19NO4S/c1-13-11-17(24)21(22(25)27-13)16-12-20(14-7-3-5-9-18(14)26-2)28-19-10-6-4-8-15(19)23-16/h3-12,20,23,25H,1-2H3/t20-/m0/s1