methyl 4-[4-oxidanylidene-3-(pyridin-3-ylmethyl)-1,3-thiazinan-2-yl]benzoate

Systemtic Name: methyl 4-[4-oxidanylidene-3-(pyridin-3-ylmethyl)-1,3-thiazinan-2-yl]benzoate Openeye Name: methyl 4-[4-oxo-3-(3-pyridylmethyl)-1,3-thiazinan-2-yl]benzoate CAS Name: 4-[4-oxo-3-(3-pyridinylmethyl)-1,3-thiazinan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazinan-2-yl]benzoate Traditional Name: 4-[4-keto-3-(3-pyridylmethyl)-1,3-thiazinan-2-yl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2N(C(=O)CCS2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2N(C(=O)CCS2)CC3=CN=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-23-18(22)15-6-4-14(5-7-15)17-20(16(21)8-10-24-17)12-13-3-2-9-19-11-13/h2-7,9,11,17H,8,10,12H2,1H3