(4E)-4-[ethoxy(oxidanyl)methylidene]-8-methylsulfanyl-3-propan-2-ylidene-1-benzoxepine-2,5-dione

Systemtic Name: (4E)-4-[ethoxy(oxidanyl)methylidene]-8-methylsulfanyl-3-propan-2-ylidene-1-benzoxepine-2,5-dione Openeye Name: (4E)-4-[ethoxy(hydroxy)methylene]-3-isopropylidene-8-methylsulfanyl-1-benzoxepine-2,5-dione CAS Name: (4E)-4-[ethoxy(hydroxy)methylidene]-8-(methylthio)-3-propan-2-ylidene-1-benzoxepin-2,5-dione IUPAC Name: (4E)-4-[ethoxy(hydroxy)methylidene]-8-methylsulfanyl-3-propan-2-ylidene-1-benzoxepine-2,5-dione Traditional Name: (4E)-4-[ethoxy(hydroxy)methylene]-3-isopropylidene-8-(methylthio)-1-benzoxepin-2,5-quinone Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=C(C)C)C(=O)OC2=C(C1=O)C=CC(=C2)SC)O

Isomeric SMILES

CCO/C(=C/1\C(=C(C)C)C(=O)OC2=C(C1=O)C=CC(=C2)SC)/O

InChI

InChI=1S/C17H18O5S/c1-5-21-16(19)14-13(9(2)3)17(20)22-12-8-10(23-4)6-7-11(12)15(14)18/h6-8,19H,5H2,1-4H3/b16-14+