(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C27H27NO5S/c1-4-32-24-14-11-20(19(3)29)15-21(24)16-33-27(31)23-7-5-6-8-25(23)34-17-26(30)28-22-12-9-18(2)10-13-22/h5-15H,4,16-17H2,1-3H3,(H,28,30)