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

Systemtic Name: propan-2-yl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14(2)27-21(24)15-4-6-16(7-5-15)22-20(23)13-28-17-8-9-18-19(12-17)26-11-3-10-25-18/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,23)