[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)C)O)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)C)O)C(=O)C

InChI

InChI=1S/C22H22N2O4S/c1-4-16-6-8-18(9-7-16)24(15(3)25)22-23-17(13-29-22)12-28-21(27)19-11-14(2)5-10-20(19)26/h5-11,13,26H,4,12H2,1-3H3