(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: (5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl ester IUPAC Name: (5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid (5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)methyl ester Formula: C19H19NO5S2 MolecularWeight: 405.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCC2CCSC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCC2CCSC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19NO5S2/c1-13-6-8-15(9-7-13)27(23,24)20-19(22)25-12-14-10-11-26-17-5-3-2-4-16(17)18(14)21/h2-9,14H,10-12H2,1H3,(H,20,22)