O-phenyl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate

Systemtic Name: O-phenyl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate Openeye Name: O-phenyl N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate CAS Name: N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioic acid O-phenyl ester IUPAC Name: O-phenyl N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate Traditional Name: N-[(5-keto-4-methylol-2,3-dihydro-1-benzothiepin-4-yl)methyl]thiocarbamic acid O-phenyl ester Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C1(CNC(=S)OC3=CC=CC=C3)CO

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)C1(CNC(=S)OC3=CC=CC=C3)CO

InChI

InChI=1S/C19H19NO3S2/c21-13-19(12-20-18(24)23-14-6-2-1-3-7-14)10-11-25-16-9-5-4-8-15(16)17(19)22/h1-9,21H,10-13H2,(H,20,24)