(3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[2-(4-dimethylaminophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C)/C(=O)O1

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/h4-12,21,24H,13H2,1-3H3/b22-18+