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

Systemtic Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(2R)-2-(4-dimethylaminophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-pyran-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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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=C(C=C4)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-14-12-19(26)22(23(27)28-14)18-13-21(15-8-10-16(11-9-15)25(2)3)29-20-7-5-4-6-17(20)24-18/h4-13,21,24,27H,1-3H3/t21-/m1/s1