N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]phenyl]acetamide CAS Name: N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]phenyl]acetamide Traditional Name: N-[3-acetamido-4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]phenyl]acetamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCO3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCO3)NC(=O)C

InChI

InChI=1S/C20H20N2O5S/c1-12(23)21-14-3-5-16(17(9-14)22-13(2)24)18(25)11-28-15-4-6-19-20(10-15)27-8-7-26-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)(H,22,24)