(3E)-6-methyl-3-(2-pyridin-4-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)pyran-2,4-dione

Systemtic Name: (3E)-6-methyl-3-(2-pyridin-4-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[2-(4-pyridyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-(2-pyridin-4-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-(2-pyridin-4-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[2-(4-pyridyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-12-10-16(23)19(20(24)25-12)15-11-18(13-6-8-21-9-7-13)26-17-5-3-2-4-14(17)22-15/h2-10,18,22H,11H2,1H3/b19-15+