3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC4=C(C=C3)OCO4)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC4=C(C=C3)OCO4)C(=O)O1

InChI

InChI=1S/C18H17NO5S/c1-10-6-13(20)17(18(21)24-10)12-8-16(25-5-4-19-12)11-2-3-14-15(7-11)23-9-22-14/h2-3,6-7,16,19H,4-5,8-9H2,1H3/t16-/m0/s1