(3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CNC4=CC=CC=C43)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CNC4=CC=CC=C43)/C(=O)O1

InChI

InChI=1S/C19H18N2O3S/c1-11-8-16(22)18(19(23)24-11)15-9-17(25-7-6-20-15)13-10-21-14-5-3-2-4-12(13)14/h2-5,8,10,17,20-21H,6-7,9H2,1H3/b18-15+