methyl 3-chloranyl-2-[(5-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: methyl 3-chloranyl-2-[(5-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]benzoate Openeye Name: methyl 3-chloro-2-[[5-(2-thienyl)-4,5-dihydrooxazol-3-ium-3-yl]methyl]benzoate CAS Name: 3-chloro-2-[(5-thiophen-2-yl-4,5-dihydrooxazol-3-ium-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-2-[(5-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]benzoate Traditional Name: 3-chloro-2-[[5-(2-thienyl)-2-oxazolin-3-ium-3-yl]methyl]benzoic acid methyl ester Formula: C16H15ClNO3S+ MolecularWeight: 336.8132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)Cl)C[N+]2=COC(C2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)Cl)C[N+]2=COC(C2)C3=CC=CS3

InChI

InChI=1S/C16H15ClNO3S/c1-20-16(19)11-4-2-5-13(17)12(11)8-18-9-14(21-10-18)15-6-3-7-22-15/h2-7,10,14H,8-9H2,1H3/q+1