2,3-dihydro-1,4-benzodioxine-6-thiol; (E)-3-phenylprop-2-enamide

Systemtic Name: 2,3-dihydro-1,4-benzodioxine-6-thiol; (E)-3-phenylprop-2-enamide Openeye Name: 2,3-dihydro-1,4-benzodioxine-6-thiol; (E)-3-phenylprop-2-enamide CAS Name: 2,3-dihydro-1,4-benzodioxin-6-thiol; (E)-3-phenyl-2-propenamide IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-thiol; (E)-3-phenylprop-2-enamide Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-thiol; (E)-3-phenylacrylamide Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S.C1=CC=C(C=C1)C=CC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S.C1=CC=C(C=C1)/C=C/C(=O)N

InChI

InChI=1S/C9H9NO.C8H8O2S/c10-9(11)7-6-8-4-2-1-3-5-8;11-6-1-2-7-8(5-6)10-4-3-9-7/h1-7H,(H2,10,11);1-2,5,11H,3-4H2/b7-6+;