methyl 3-[(4-chlorophenyl)sulfanylmethyl]-5-(furan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-5-(furan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-5-(2-furylmethylcarbamoyl)isoxazole-4-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-5-[(2-furanylmethylamino)-oxomethyl]-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-5-(furan-2-ylmethylcarbamoyl)-1,2-oxazole-4-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-5-(2-furfurylcarbamoyl)isoxazole-4-carboxylic acid methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H15ClN2O5S/c1-24-18(23)15-14(10-27-13-6-4-11(19)5-7-13)21-26-16(15)17(22)20-9-12-3-2-8-25-12/h2-8H,9-10H2,1H3,(H,20,22)