7-[(2-methylsulfanylphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[(2-methylsulfanylphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(2-methylsulfanylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[[2-(methylthio)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(2-methylsulfanylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[[2-(methylthio)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C18H16NO5S- MolecularWeight: 358.38834

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C18H17NO5S/c1-25-16-6-3-2-5-11(16)17(20)19-13-10-15-14(9-12(13)18(21)22)23-7-4-8-24-15/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,19,20)(H,21,22)/p-1