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

Systemtic Name: (3E)-3-[7-(4-dimethylaminophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(4-dimethylaminophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(4-dimethylaminophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(4-dimethylaminophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(4-dimethylaminophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-12-10-16(22)18(19(23)24-12)15-11-17(25-9-8-20-15)13-4-6-14(7-5-13)21(2)3/h4-7,10,17,20H,8-9,11H2,1-3H3/b18-15+