O-[[(5R)-2-oxidanylidene-3-(6-pyridin-4-yl-1-benzothiophen-2-yl)-1,3-oxazolidin-5-yl]methyl] N-methylcarbamothioate

Systemtic Name: O-[[(5R)-2-oxidanylidene-3-(6-pyridin-4-yl-1-benzothiophen-2-yl)-1,3-oxazolidin-5-yl]methyl] N-methylcarbamothioate Openeye Name: O-[[(5R)-2-oxo-3-[6-(4-pyridyl)benzothiophen-2-yl]oxazolidin-5-yl]methyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[[(5R)-2-oxo-3-(6-pyridin-4-yl-1-benzothiophen-2-yl)-5-oxazolidinyl]methyl] ester IUPAC Name: O-[[(5R)-2-oxo-3-(6-pyridin-4-yl-1-benzothiophen-2-yl)-1,3-oxazolidin-5-yl]methyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[[(5R)-2-keto-3-[6-(4-pyridyl)benzothiophen-2-yl]oxazolidin-5-yl]methyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCC1CN(C(=O)O1)C2=CC3=C(S2)C=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

CNC(=S)OC[C@H]1CN(C(=O)O1)C2=CC3=C(S2)C=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C19H17N3O3S2/c1-20-18(26)24-11-15-10-22(19(23)25-15)17-9-14-3-2-13(8-16(14)27-17)12-4-6-21-7-5-12/h2-9,15H,10-11H2,1H3,(H,20,26)/t15-/m1/s1