methyl 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methylcarbamoyl]-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methylcarbamoyl]-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methylcarbamoyl]isoxazole-4-carboxylate CAS Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethylphenyl)sulfanylmethyl]-5-[(4-methoxyphenyl)methylcarbamoyl]-1,2-oxazole-4-carboxylate Traditional Name: 3-[[(3,4-dimethylphenyl)thio]methyl]-5-(p-anisylcarbamoyl)isoxazole-4-carboxylic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)OC)C(=O)NCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=NOC(=C2C(=O)OC)C(=O)NCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H24N2O5S/c1-14-5-10-18(11-15(14)2)31-13-19-20(23(27)29-4)21(30-25-19)22(26)24-12-16-6-8-17(28-3)9-7-16/h5-11H,12-13H2,1-4H3,(H,24,26)