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

Systemtic Name: methyl 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-23-19(22)13-4-2-5-14(10-13)20-18(21)12-26-15-6-7-16-17(11-15)25-9-3-8-24-16/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,20,21)