6-methyl-4-oxidanylidene-3-[(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Openeye Name: 3-[(2R)-2-(4-isopropylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(2R)-2-p-cumenyl-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Formula: C24H22NO3S- MolecularWeight: 404.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3SC(C2)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3S[C@H](C2)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C24H23NO3S/c1-14(2)16-8-10-17(11-9-16)22-13-19(23-20(26)12-15(3)28-24(23)27)25-18-6-4-5-7-21(18)29-22/h4-12,14,22,27H,13H2,1-3H3/p-1/t22-/m1/s1