N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-2-methylsulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-2-methylsulfanyl-ethanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-2-methylsulfanyl-acetamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-2-(methylthio)acetamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-2-methylsulfanylacetamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-2-(methylthio)acetamide Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CSC)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CSC)C(=O)O1)Cl

InChI

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