propyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]benzoic acid propyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-2-9-26-20(23)14-3-5-15(6-4-14)21-19(22)13-27-16-7-8-17-18(12-16)25-11-10-24-17/h3-8,12H,2,9-11,13H2,1H3,(H,21,22)