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

Systemtic Name: (3E)-3-[7-(5-chloranyl-1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(5-chloro-1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(5-chloro-1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(5-chloro-1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(5-chloro-1H-indol-3-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CNC4=C3C=C(C=C4)Cl)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CNC4=C3C=C(C=C4)Cl)/C(=O)O1

InChI

InChI=1S/C19H17ClN2O3S/c1-10-6-16(23)18(19(24)25-10)15-8-17(26-5-4-21-15)13-9-22-14-3-2-11(20)7-12(13)14/h2-3,6-7,9,17,21-22H,4-5,8H2,1H3/b18-15+