3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl-(methylamino)methylidene]pentane-2,4-dione

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl-(methylamino)methylidene]pentane-2,4-dione Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl-(methylamino)methylene]pentane-2,4-dione CAS Name: 3-[[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-(methylamino)methylidene]pentane-2,4-dione IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl-(methylamino)methylidene]pentane-2,4-dione Traditional Name: 3-[[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-(methylamino)methylene]pentane-2,4-dione Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC)SCC1=CC2=C(C=C1Cl)OCO2)C(=O)C

Isomeric SMILES

CC(=O)C(=C(NC)SCC1=CC2=C(C=C1Cl)OCO2)C(=O)C

InChI

InChI=1S/C15H16ClNO4S/c1-8(18)14(9(2)19)15(17-3)22-6-10-4-12-13(5-11(10)16)21-7-20-12/h4-5,17H,6-7H2,1-3H3