(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C27H27NO6S MolecularWeight: 493.57138

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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(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6S/c1-4-33-24-13-12-19(18(2)29)14-20(24)16-34-27(31)23-10-5-6-11-25(23)35-17-26(30)28-21-8-7-9-22(15-21)32-3/h5-15H,4,16-17H2,1-3H3,(H,28,30)