butyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO5S/c1-2-3-11-28-22(25)16-5-7-17(8-6-16)23-21(24)15-29-18-9-10-19-20(14-18)27-13-4-12-26-19/h5-10,14H,2-4,11-13,15H2,1H3,(H,23,24)