3-methyl-5-(oxocan-4-yl)-1,2-oxazole; methyl thiophene-2-carboxylate

Systemtic Name: 3-methyl-5-(oxocan-4-yl)-1,2-oxazole; methyl thiophene-2-carboxylate Openeye Name: 3-methyl-5-(oxocan-4-yl)isoxazole; methyl thiophene-2-carboxylate CAS Name: 3-methyl-5-(4-oxocanyl)isoxazole; 2-thiophenecarboxylic acid methyl ester IUPAC Name: 3-methyl-5-(oxocan-4-yl)-1,2-oxazole; methyl thiophene-2-carboxylate Traditional Name: 3-methyl-5-(oxocan-4-yl)isoxazole; thiophene-2-carboxylic acid methyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2CCCCOCC2.COC(=O)C1=CC=CS1

Isomeric SMILES

CC1=NOC(=C1)C2CCCCOCC2.COC(=O)C1=CC=CS1

InChI

InChI=1S/C11H17NO2.C6H6O2S/c1-9-8-11(14-12-9)10-4-2-3-6-13-7-5-10;1-8-6(7)5-3-2-4-9-5/h8,10H,2-7H2,1H3;2-4H,1H3