O-[(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl)] N-methylcarbamothioate

Systemtic Name: O-[(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl)] N-methylcarbamothioate Openeye Name: O-[(4-oxo-5H-1,5-benzothiazepin-2-yl)] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[(4-oxo-5H-1,5-benzothiazepin-2-yl)] ester IUPAC Name: O-[(4-oxo-5H-1,5-benzothiazepin-2-yl)] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(4-keto-5H-1,5-benzothiazepin-2-yl)] ester Formula: C11H10N2O2S2 MolecularWeight: 266.3393

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OC1=CC(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=S)OC1=CC(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C11H10N2O2S2/c1-12-11(16)15-10-6-9(14)13-7-4-2-3-5-8(7)17-10/h2-6H,1H3,(H,12,16)(H,13,14)