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

Systemtic Name: (3E)-6-methyl-3-[7-(4-methylsulfonylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[7-(4-methylsulfonylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[7-(4-methylsulfonylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[7-(4-methylsulfonylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: (3E)-3-[7-(4-mesylphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O1

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S2/c1-11-9-15(20)17(18(21)24-11)14-10-16(25-8-7-19-14)12-3-5-13(6-4-12)26(2,22)23/h3-6,9,16,19H,7-8,10H2,1-2H3/b17-14+