methyl 5-(4-methyl-3-oxidanidyl-5-phenyl-1,3-oxazol-3-ium-2-yl)thiophene-2-carboxylate

Systemtic Name: methyl 5-(4-methyl-3-oxidanidyl-5-phenyl-1,3-oxazol-3-ium-2-yl)thiophene-2-carboxylate Openeye Name: methyl 5-(4-methyl-3-oxido-5-phenyl-oxazol-3-ium-2-yl)thiophene-2-carboxylate CAS Name: 5-(4-methyl-3-oxido-5-phenyl-2-oxazol-3-iumyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methyl-3-oxido-5-phenyl-1,3-oxazol-3-ium-2-yl)thiophene-2-carboxylate Traditional Name: 5-(4-methyl-3-oxido-5-phenyl-oxazol-3-ium-2-yl)thiophene-2-carboxylic acid methyl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=[N+]1[O-])C2=CC=C(S2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC(=[N+]1[O-])C2=CC=C(S2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO4S/c1-10-14(11-6-4-3-5-7-11)21-15(17(10)19)12-8-9-13(22-12)16(18)20-2/h3-9H,1-2H3